N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide

C15H12ClN3O2 — CID 853490

IUPACN-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12ClN3O2/c1-21-13-7-6-9(16)8-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyORQJJWYENVQNLT-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.48
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide

N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide (PubChem CID 853490) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
PubChem CID853490
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12ClN3O2/c1-21-13-7-6-9(16)8-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20)
InChIKeyORQJJWYENVQNLT-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide (CID 853490) is N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is ORQJJWYENVQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-13-7-6-9(16)8-10(13)14(20)19-15-17-11-4-2-3-5-12(11)18-15/h2-8H,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide?
N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 301.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 853490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).