1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide

C20H29N5O2 — CID 119394046

IUPAC1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(22-8-3-11-24-12-9-21-10-13-24)15-6-7-18-17(14-15)23-20(27)25(18)16-4-1-2-5-16/h6-7,14,16,21H,1-5,8-13H2,(H,22,26)(H,23,27)
InChIKeyNJFNOOFHHJTTIF-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.47
Rot. Bonds6

About 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide

1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 119394046) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
PubChem CID119394046
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C20H29N5O2/c26-19(22-8-3-11-24-12-9-21-10-13-24)15-6-7-18-17(14-15)23-20(27)25(18)16-4-1-2-5-16/h6-7,14,16,21H,1-5,8-13H2,(H,22,26)(H,23,27)
InChIKeyNJFNOOFHHJTTIF-UHFFFAOYSA-N
XLogP1.47
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-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

1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
2-cyclohexyl-1,3-dioxo-N-(3-piperazin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 119391733
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 120887120
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide (CID 119394046) is 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide is O=C(NCCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NJFNOOFHHJTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c26-19(22-8-3-11-24-12-9-21-10-13-24)15-6-7-18-17(14-15)23-20(27)25(18)16-4-1-2-5-16/h6-7,14,16,21H,1-5,8-13H2,(H,22,26)(H,23,27).
What are the key properties of 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide?
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 119394046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).