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338955-09-2 | 1-[(4-methoxyphenyl)methyl]-2,5,6-trimethyl-1H-1,3-benzodiazol-4-amine
CAS No: 338955-09-2 Catalog No: AG00IPNF MDL No:MFCD00232103
Product Description
Catalog Number:
AG00IPNF
Chemical Name:
1-[(4-methoxyphenyl)methyl]-2,5,6-trimethyl-1H-1,3-benzodiazol-4-amine
CAS Number:
338955-09-2
Molecular Formula:
C18H21N3O
Molecular Weight:
295.3788
MDL Number:
MFCD00232103
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-2,5,6-trimethylbenzimidazol-4-amine
InChI:
InChI=1S/C18H21N3O/c1-11-9-16-18(17(19)12(11)2)20-13(3)21(16)10-14-5-7-15(22-4)8-6-14/h5-9H,10,19H2,1-4H3
InChI Key:
XMQXMFALUHOZBS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(C)nc2c1cc(C)c(c2N)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.386g/mol
Monoisotopic Mass:
295.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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