3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

C21H15BrClN3O — CID 54857993

IUPAC3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCc1cc2[nH]c(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2cc1Cl
InChIInChI=1S/C21H15BrClN3O/c1-12-9-18-19(11-17(12)23)26-20(25-18)13-5-7-16(8-6-13)24-21(27)14-3-2-4-15(22)10-14/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyUHVGZOSICUQEEP-UHFFFAOYSA-N
MW440.73 g/mol
LogP6.21
Rot. Bonds3

About 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 54857993) has the molecular formula C21H15BrClN3O and a molecular weight of 440.73 g/mol. Its IUPAC name is 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID54857993
Molecular FormulaC21H15BrClN3O
Molecular Weight440.73 g/mol
Exact Mass439.01
IUPAC Name3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCc1cc2[nH]c(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2cc1Cl
InChIInChI=1S/C21H15BrClN3O/c1-12-9-18-19(11-17(12)23)26-20(25-18)13-5-7-16(8-6-13)24-21(27)14-3-2-4-15(22)10-14/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyUHVGZOSICUQEEP-UHFFFAOYSA-N
XLogP6.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.73
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
CID 54857921
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
CID 54858335
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
CID 46861752
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 54857993) is 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is Cc1cc2[nH]c(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2cc1Cl.
What is the InChIKey of 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is UHVGZOSICUQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClN3O/c1-12-9-18-19(11-17(12)23)26-20(25-18)13-5-7-16(8-6-13)24-21(27)14-3-2-4-15(22)10-14/h2-11H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 440.73 g/mol, XLogP of 6.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 54857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).