N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide

C15H13N3O2 — CID 110469047

IUPACN-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-18-13-5-3-2-4-12(13)17-14(18)15(20)16-10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,20)
InChIKeyIHZWWTOXURIXEH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.53
Rot. Bonds2

About N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide

N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide (PubChem CID 110469047) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
PubChem CID110469047
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-18-13-5-3-2-4-12(13)17-14(18)15(20)16-10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,20)
InChIKeyIHZWWTOXURIXEH-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
CID 110469019
1-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)urea
CID 35280532
N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 3968667
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide
CID 23775465
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide (CID 110469047) is N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide is Cn1c(C(=O)Nc2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide?
The InChIKey is IHZWWTOXURIXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-13-5-3-2-4-12(13)17-14(18)15(20)16-10-6-8-11(19)9-7-10/h2-9,19H,1H3,(H,16,20).
What are the key properties of N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide?
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 110469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).