2-phenyl-1H-benzimidazole-4-carboxamide

C14H11N3O — CID 10823781

IUPAC2-phenyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
InChIKeyOBBJGEVEIULNEO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.33
Rot. Bonds2

About 2-phenyl-1H-benzimidazole-4-carboxamide

2-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 10823781) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID10823781
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-phenyl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
InChIKeyOBBJGEVEIULNEO-UHFFFAOYSA-N
XLogP2.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-phenyl-1H-benzimidazole-4-carboxamide (CID 10823781) is 2-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-phenyl-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is OBBJGEVEIULNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17).
What are the key properties of 2-phenyl-1H-benzimidazole-4-carboxamide?
2-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10823781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).