2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide

C17H13BrClN3O — CID 11538367

IUPAC2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C17H13BrClN3O/c18-13-5-2-4-12(8-13)16-20-10-15(22-16)17(23)21-9-11-3-1-6-14(19)7-11/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyFURMHBOOAVQOII-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.42
Rot. Bonds4

About 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide

2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 11538367) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID11538367
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cnc(-c2cccc(Br)c2)[nH]1
InChIInChI=1S/C17H13BrClN3O/c18-13-5-2-4-12(8-13)16-20-10-15(22-16)17(23)21-9-11-3-1-6-14(19)7-11/h1-8,10H,9H2,(H,20,22)(H,21,23)
InChIKeyFURMHBOOAVQOII-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920544
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
CID 135487327
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[(3-chlorophenyl)methyl]-4-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 146270155
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
CID 169411976
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide (CID 11538367) is 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCc1cccc(Cl)c1)c1cnc(-c2cccc(Br)c2)[nH]1.
What is the InChIKey of 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is FURMHBOOAVQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-13-5-2-4-12(8-13)16-20-10-15(22-16)17(23)21-9-11-3-1-6-14(19)7-11/h1-8,10H,9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide?
2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 390.67 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 11538367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).