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

C22H18BrN3O2 — CID 17360789

IUPAC3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Br
InChIInChI=1S/C22H18BrN3O2/c1-13-3-9-18-19(11-13)26-21(25-18)14-4-7-16(8-5-14)24-22(27)15-6-10-20(28-2)17(23)12-15/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyGOPLGUMBGLEHOY-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.56
Rot. Bonds4

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

3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 17360789) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID17360789
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Br
InChIInChI=1S/C22H18BrN3O2/c1-13-3-9-18-19(11-13)26-21(25-18)14-4-7-16(8-5-14)24-22(27)15-6-10-20(28-2)17(23)12-15/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyGOPLGUMBGLEHOY-UHFFFAOYSA-N
XLogP5.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
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-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17297281
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-(3-chloropropoxy)benzamide;ethane
CID 143026956
N-[4-[[4-(1H-benzimidazol-2-yl)-2-fluoroanilino]methyl]phenyl]-3-bromo-4-methoxybenzamide
CID 142438535
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
4-[[2-(4-methylphenyl)-3H-benzimidazole-5-carbonyl]amino]benzoyl azide
CID 142169440
[[2-[2-[4-[[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]methylamino]-3-fluorophenyl]-3H-benzimidazol-5-yl]acetyl]amino]methylboronic acid
CID 139667025
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 17360789) is 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is GOPLGUMBGLEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-13-3-9-18-19(11-13)26-21(25-18)14-4-7-16(8-5-14)24-22(27)15-6-10-20(28-2)17(23)12-15/h3-12H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 436.31 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17360789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).