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Home > Imidazoles > 88933-86-2
88933-86-2 | 1H-Imidazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-N,5-dimethyl-
CAS No: 88933-86-2 Catalog No: AG008A16 MDL No:
Product Description
Catalog Number:
AG008A16
Chemical Name:
1H-Imidazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-N,5-dimethyl-
CAS Number:
88933-86-2
Molecular Formula:
C13H14ClN3O
Molecular Weight:
263.7228
IUPAC Name:
N-[(4-chlorophenyl)methyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C13H14ClN3O/c1-9-12(16-8-15-9)13(18)17(2)7-10-3-5-11(14)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16)
InChI Key:
VLLOYAVHZIFHQB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CN(C(=O)c1nc[nH]c1C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.725g/mol
Monoisotopic Mass:
263.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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