N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C20H20FN3O2 — CID 138998904

IUPACN-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N(Cc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C20H20FN3O2/c21-15-5-3-4-13(10-15)12-24(16-6-1-2-7-16)19(25)14-8-9-17-18(11-14)23-20(26)22-17/h3-5,8-11,16H,1-2,6-7,12H2,(H2,22,23,26)
InChIKeyVPFRGUMTQLNUIN-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.58
Rot. Bonds4

About N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 138998904) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID138998904
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)N(Cc1cccc(F)c1)C1CCCC1
InChIInChI=1S/C20H20FN3O2/c21-15-5-3-4-13(10-15)12-24(16-6-1-2-7-16)19(25)14-8-9-17-18(11-14)23-20(26)22-17/h3-5,8-11,16H,1-2,6-7,12H2,(H2,22,23,26)
InChIKeyVPFRGUMTQLNUIN-UHFFFAOYSA-N
XLogP3.58
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-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

N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-bromo-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 103754314
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55761477
2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 146138168
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 40643489
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 40643549
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18206397

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 138998904) is N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is O=C(c1ccc2[nH]c(=O)[nH]c2c1)N(Cc1cccc(F)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is VPFRGUMTQLNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-5-3-4-13(10-15)12-24(16-6-1-2-7-16)19(25)14-8-9-17-18(11-14)23-20(26)22-17/h3-5,8-11,16H,1-2,6-7,12H2,(H2,22,23,26).
What are the key properties of N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 138998904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).