N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide

C14H10ClN3O2 — CID 64788874

IUPACN-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10ClN3O2/c15-10-6-9(2-4-13(10)19)18-14(20)8-1-3-11-12(5-8)17-7-16-11/h1-7,19H,(H,16,17)(H,18,20)
InChIKeyZMJFCXLQPLTPEF-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.17
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide

N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 64788874) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID64788874
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10ClN3O2/c15-10-6-9(2-4-13(10)19)18-14(20)8-1-3-11-12(5-8)17-7-16-11/h1-7,19H,(H,16,17)(H,18,20)
InChIKeyZMJFCXLQPLTPEF-UHFFFAOYSA-N
XLogP3.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
CID 110778958
N-(3H-benzimidazol-5-yl)-6-bromonaphthalene-2-carboxamide
CID 11617554
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (CID 64788874) is N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZMJFCXLQPLTPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-6-9(2-4-13(10)19)18-14(20)8-1-3-11-12(5-8)17-7-16-11/h1-7,19H,(H,16,17)(H,18,20).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 64788874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).