N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C17H18N6O — CID 46843120

IUPACN-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NN1CCNCC1)c1cccc2[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C17H18N6O/c24-17(22-23-10-8-18-9-11-23)12-4-3-6-13-15(12)21-16(20-13)14-5-1-2-7-19-14/h1-7,18H,8-11H2,(H,20,21)(H,22,24)
InChIKeyFFCPSDWGIQOUNO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.17
Rot. Bonds3

About N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide

N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46843120) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID46843120
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESO=C(NN1CCNCC1)c1cccc2[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C17H18N6O/c24-17(22-23-10-8-18-9-11-23)12-4-3-6-13-15(12)21-16(20-13)14-5-1-2-7-19-14/h1-7,18H,8-11H2,(H,20,21)(H,22,24)
InChIKeyFFCPSDWGIQOUNO-UHFFFAOYSA-N
XLogP1.17
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
N-[1-hydroxy-1-(2-nitrophenyl)propan-2-yl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 174571365
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-(6-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 66984886
2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
N-(2-aminophenyl)-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole-4-carboxamide
CID 46843856
2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 135967100
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080
2-[6-[3-(4-methylpiperazin-1-yl)propoxy]-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23432970
2-[4-(1,4-diazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701798

Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 46843120) is N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide is O=C(NN1CCNCC1)c1cccc2[nH]c(-c3ccccn3)nc12.
What is the InChIKey of N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is FFCPSDWGIQOUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(22-23-10-8-18-9-11-23)12-4-3-6-13-15(12)21-16(20-13)14-5-1-2-7-19-14/h1-7,18H,8-11H2,(H,20,21)(H,22,24).
What are the key properties of N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-yl-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46843120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).