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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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).