N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

C21H16BrN3O — CID 100578973

IUPACN-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16BrN3O/c1-13-2-11-18-19(12-13)25-20(24-18)14-3-5-15(6-4-14)21(26)23-17-9-7-16(22)8-10-17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyKNOIFBQLVZLDJQ-UHFFFAOYSA-N
MW406.28 g/mol
LogP5.55
Rot. Bonds3

About N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide

N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 100578973) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID100578973
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC NameN-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16BrN3O/c1-13-2-11-18-19(12-13)25-20(24-18)14-3-5-15(6-4-14)21(26)23-17-9-7-16(22)8-10-17/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyKNOIFBQLVZLDJQ-UHFFFAOYSA-N
XLogP5.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.28
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17360789
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 100578973) is N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)[nH]c2c1.
What is the InChIKey of N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is KNOIFBQLVZLDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O/c1-13-2-11-18-19(12-13)25-20(24-18)14-3-5-15(6-4-14)21(26)23-17-9-7-16(22)8-10-17/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 406.28 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 100578973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).