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

C15H11N5O — CID 12620222

IUPACN-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H11N5O/c21-14(13-16-9-5-1-2-6-10(9)17-13)20-15-18-11-7-3-4-8-12(11)19-15/h1-8H,(H,16,17)(H2,18,19,20,21)
InChIKeyAPKRKLYTNUQKDX-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.69
Rot. Bonds2

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

N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 12620222) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
PubChem CID12620222
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H11N5O/c21-14(13-16-9-5-1-2-6-10(9)17-13)20-15-18-11-7-3-4-8-12(11)19-15/h1-8H,(H,16,17)(H2,18,19,20,21)
InChIKeyAPKRKLYTNUQKDX-UHFFFAOYSA-N
XLogP2.69
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
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N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
N-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
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2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
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N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide (CID 12620222) is N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is APKRKLYTNUQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-14(13-16-9-5-1-2-6-10(9)17-13)20-15-18-11-7-3-4-8-12(11)19-15/h1-8H,(H,16,17)(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide?
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 12620222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).