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

C12H15N5O — CID 18428022

IUPAC2-piperazin-2-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CNCCN3)nc12
InChIInChI=1S/C12H15N5O/c13-11(18)7-2-1-3-8-10(7)17-12(16-8)9-6-14-4-5-15-9/h1-3,9,14-15H,4-6H2,(H2,13,18)(H,16,17)
InChIKeyPNRIMHRPMGAVEB-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.10
Rot. Bonds2

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

2-piperazin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 18428022) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-piperazin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID18428022
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-piperazin-2-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CNCCN3)nc12
InChIInChI=1S/C12H15N5O/c13-11(18)7-2-1-3-8-10(7)17-12(16-8)9-6-14-4-5-15-9/h1-3,9,14-15H,4-6H2,(H2,13,18)(H,16,17)
InChIKeyPNRIMHRPMGAVEB-UHFFFAOYSA-N
XLogP-0.10
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Idelalisib
CID 11625818
Veliparib
CID 11960529
Felcisetrag
CID 11961293
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
Acalisib
CID 11618268
Pf-06305591
CID 71666749
AG-14361
CID 9840076
2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide
CID 11842604
2-(2-methyl-2-pyrrolidinyl)-1H-benzimidazole-4-carboxamide
CID 11960528
2-(1-cyclopentylazepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190738
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
Macrocyclic Quinoxaline-Pyrrolodihydropiperidinone
CID 73056835

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide (CID 18428022) is 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CNCCN3)nc12.
What is the InChIKey of 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is PNRIMHRPMGAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11(18)7-2-1-3-8-10(7)17-12(16-8)9-6-14-4-5-15-9/h1-3,9,14-15H,4-6H2,(H2,13,18)(H,16,17).
What are the key properties of 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide?
2-piperazin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).