4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide

C11H9N5O — CID 68972333

IUPAC4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1nc2c(-c3ncc[nH]3)cccc2[nH]1
InChIInChI=1S/C11H9N5O/c12-9(17)11-15-7-3-1-2-6(8(7)16-11)10-13-4-5-14-10/h1-5H,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyMYYSAPRQSSIGME-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.05
Rot. Bonds2

About 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide

4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 68972333) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide
PubChem CID68972333
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1nc2c(-c3ncc[nH]3)cccc2[nH]1
InChIInChI=1S/C11H9N5O/c12-9(17)11-15-7-3-1-2-6(8(7)16-11)10-13-4-5-14-10/h1-5H,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyMYYSAPRQSSIGME-UHFFFAOYSA-N
XLogP1.05
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide (CID 68972333) is 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide is NC(=O)c1nc2c(-c3ncc[nH]3)cccc2[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is MYYSAPRQSSIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c12-9(17)11-15-7-3-1-2-6(8(7)16-11)10-13-4-5-14-10/h1-5H,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide?
4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 227.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 68972333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).