1-phenylbenzimidazole-5-carboxamide

C14H11N3O — CID 5328470

IUPAC1-phenylbenzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H11N3O/c15-14(18)10-6-7-13-12(8-10)16-9-17(13)11-4-2-1-3-5-11/h1-9H,(H2,15,18)
InChIKeyZUMMCUSTDGKTFE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.12
Rot. Bonds2

About 1-phenylbenzimidazole-5-carboxamide

1-phenylbenzimidazole-5-carboxamide (PubChem CID 5328470) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-phenylbenzimidazole-5-carboxamide
PubChem CID5328470
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-phenylbenzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C14H11N3O/c15-14(18)10-6-7-13-12(8-10)16-9-17(13)11-4-2-1-3-5-11/h1-9H,(H2,15,18)
InChIKeyZUMMCUSTDGKTFE-UHFFFAOYSA-N
XLogP2.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 1-phenylbenzimidazole-5-carboxamide (CID 5328470) is 1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-phenylbenzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 1-phenylbenzimidazole-5-carboxamide?
The InChIKey is ZUMMCUSTDGKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14(18)10-6-7-13-12(8-10)16-9-17(13)11-4-2-1-3-5-11/h1-9H,(H2,15,18).
What are the key properties of 1-phenylbenzimidazole-5-carboxamide?
1-phenylbenzimidazole-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 5328470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).