2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide

C20H15N3O2 — CID 11236100

IUPAC2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2/c21-19(24)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H2,21,24)(H,22,23)
InChIKeyDSNAAPPRGKMHCM-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide

2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 11236100) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID11236100
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H15N3O2/c21-19(24)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H2,21,24)(H,22,23)
InChIKeyDSNAAPPRGKMHCM-UHFFFAOYSA-N
XLogP4.12
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide (CID 11236100) is 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is DSNAAPPRGKMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-19(24)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H2,21,24)(H,22,23).
What are the key properties of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide?
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11236100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).