2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

C17H13N5O — CID 44541767

IUPAC2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4cnc[nH]4)cc3)nc12
InChIInChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyOFNRNSWBCGLJIV-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44541767) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44541767
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4cnc[nH]4)cc3)nc12
InChIInChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22)
InChIKeyOFNRNSWBCGLJIV-UHFFFAOYSA-N
XLogP2.72
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44541767) is 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnc[nH]4)cc3)nc12.
What is the InChIKey of 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OFNRNSWBCGLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16(23)12-2-1-3-13-15(12)22-17(21-13)11-6-4-10(5-7-11)14-8-19-9-20-14/h1-9H,(H2,18,23)(H,19,20)(H,21,22).
What are the key properties of 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44541767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).