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

C22H18ClN3O — CID 54857921

IUPACN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)c1
InChIInChI=1S/C22H18ClN3O/c1-13-5-3-7-16(9-13)22(27)24-17-8-4-6-15(11-17)21-25-19-10-14(2)18(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyKDCXBAXJRXGEMN-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.75
Rot. Bonds3

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

N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide (PubChem CID 54857921) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
PubChem CID54857921
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)c1
InChIInChI=1S/C22H18ClN3O/c1-13-5-3-7-16(9-13)22(27)24-17-8-4-6-15(11-17)21-25-19-10-14(2)18(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyKDCXBAXJRXGEMN-UHFFFAOYSA-N
XLogP5.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
CID 54858335
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54857993
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 54858671
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 54858257
N-[[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
CID 54860499
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
CID 22777518
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide (CID 54857921) is N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide?
The InChIKey is KDCXBAXJRXGEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-13-5-3-7-16(9-13)22(27)24-17-8-4-6-15(11-17)21-25-19-10-14(2)18(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide?
N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide has a molecular weight of 375.86 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 54857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).