4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide

C21H16ClN3O2 — CID 100578045

IUPAC4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(12-16(19)22)23-21(26)14-8-6-13(7-9-14)20-24-17-4-2-3-5-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyZTPMYYMTKWKFFK-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.14
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide

4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 100578045) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID100578045
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(12-16(19)22)23-21(26)14-8-6-13(7-9-14)20-24-17-4-2-3-5-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyZTPMYYMTKWKFFK-UHFFFAOYSA-N
XLogP5.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-(3-chloropropoxy)benzamide;ethane
CID 143026956
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide (CID 100578045) is 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is ZTPMYYMTKWKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(12-16(19)22)23-21(26)14-8-6-13(7-9-14)20-24-17-4-2-3-5-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide?
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide has a molecular weight of 377.83 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 100578045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).