1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide

C19H18N4O4 — CID 17148140

IUPAC1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C19H18N4O4/c24-17(20-13-5-8-15-16(11-13)22-18(25)21-15)19(9-1-2-10-19)12-3-6-14(7-4-12)23(26)27/h3-8,11H,1-2,9-10H2,(H,20,24)(H2,21,22,25)
InChIKeyFRALBPZUVBFSOQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide

1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 17148140) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
PubChem CID17148140
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1
InChIInChI=1S/C19H18N4O4/c24-17(20-13-5-8-15-16(11-13)22-18(25)21-15)19(9-1-2-10-19)12-3-6-14(7-4-12)23(26)27/h3-8,11H,1-2,9-10H2,(H,20,24)(H2,21,22,25)
InChIKeyFRALBPZUVBFSOQ-UHFFFAOYSA-N
XLogP3.21
TPSA120.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide (CID 17148140) is 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1.
What is the InChIKey of 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is FRALBPZUVBFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17(20-13-5-8-15-16(11-13)22-18(25)21-15)19(9-1-2-10-19)12-3-6-14(7-4-12)23(26)27/h3-8,11H,1-2,9-10H2,(H,20,24)(H2,21,22,25).
What are the key properties of 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide?
1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 17148140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).