N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide

C21H16ClN3O2 — CID 1367400

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-8-14(22)12-16(19)21(26)23-15-9-6-13(7-10-15)20-24-17-4-2-3-5-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyXVHLAOXDEIGMFA-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.14
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide (PubChem CID 1367400) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
PubChem CID1367400
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-8-14(22)12-16(19)21(26)23-15-9-6-13(7-10-15)20-24-17-4-2-3-5-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyXVHLAOXDEIGMFA-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-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide (CID 1367400) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide?
The InChIKey is XVHLAOXDEIGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-27-19-11-8-14(22)12-16(19)21(26)23-15-9-6-13(7-10-15)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 N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-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-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 1367400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).