2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide

C15H12N6O — CID 159257765

IUPAC2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
SMILESNc1nc2ccccc2n1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N6O/c16-13-17-11-7-3-4-8-12(11)21(13)15(22)20-14-18-9-5-1-2-6-10(9)19-14/h1-8H,(H2,16,17)(H2,18,19,20,22)
InChIKeyKWCRYZSBRYKPSP-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.58
Rot. Bonds1

About 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide

2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide (PubChem CID 159257765) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
PubChem CID159257765
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
SMILESNc1nc2ccccc2n1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12N6O/c16-13-17-11-7-3-4-8-12(11)21(13)15(22)20-14-18-9-5-1-2-6-10(9)19-14/h1-8H,(H2,16,17)(H2,18,19,20,22)
InChIKeyKWCRYZSBRYKPSP-UHFFFAOYSA-N
XLogP2.58
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide (CID 159257765) is 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide is Nc1nc2ccccc2n1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide?
The InChIKey is KWCRYZSBRYKPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-13-17-11-7-3-4-8-12(11)21(13)15(22)20-14-18-9-5-1-2-6-10(9)19-14/h1-8H,(H2,16,17)(H2,18,19,20,22).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide?
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide is sourced from PubChem (CID 159257765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).