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

C14H11N3O2 — CID 28739583

IUPACN-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11N3O2/c18-11-4-2-10(3-5-11)17-14(19)9-1-6-12-13(7-9)16-8-15-12/h1-8,18H,(H,15,16)(H,17,19)
InChIKeyKYHFWMMXVDVMQK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.52
Rot. Bonds2

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

N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 28739583) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID28739583
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H11N3O2/c18-11-4-2-10(3-5-11)17-14(19)9-1-6-12-13(7-9)16-8-15-12/h1-8,18H,(H,15,16)(H,17,19)
InChIKeyKYHFWMMXVDVMQK-UHFFFAOYSA-N
XLogP2.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide (CID 28739583) is N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KYHFWMMXVDVMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-11-4-2-10(3-5-11)17-14(19)9-1-6-12-13(7-9)16-8-15-12/h1-8,18H,(H,15,16)(H,17,19).
What are the key properties of N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide?
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 28739583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).