N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide

C21H16ClN3O2 — CID 5343894

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyROSMFNBDJFKURP-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.14
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide (PubChem CID 5343894) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
PubChem CID5343894
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyROSMFNBDJFKURP-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

N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
CID 853490
Sant-2
CID 1367095
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44565645
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2032313
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide (CID 5343894) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
The InChIKey is ROSMFNBDJFKURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide 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 N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide is sourced from PubChem (CID 5343894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).