N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide

C25H30N4O3 — CID 42880290

IUPACN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nc4ccccc4n3C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C25H30N4O3/c1-31-19-11-12-20(23(15-19)32-2)24(30)26-17-13-14-28(16-17)25-27-21-9-5-6-10-22(21)29(25)18-7-3-4-8-18/h5-6,9-12,15,17-18H,3-4,7-8,13-14,16H2,1-2H3,(H,26,30)
InChIKeyRZKKXGOHHPPNCA-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide

N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 42880290) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide
PubChem CID42880290
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nc4ccccc4n3C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C25H30N4O3/c1-31-19-11-12-20(23(15-19)32-2)24(30)26-17-13-14-28(16-17)25-27-21-9-5-6-10-22(21)29(25)18-7-3-4-8-18/h5-6,9-12,15,17-18H,3-4,7-8,13-14,16H2,1-2H3,(H,26,30)
InChIKeyRZKKXGOHHPPNCA-UHFFFAOYSA-N
XLogP4.18
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide 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-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99741411
2,4-dimethoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528143
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
1-(1-cyclopentylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46106622
4-methoxy-N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methylbenzamide
CID 99741786
tert-butyl N-[(3S)-1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97168181
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 46106803
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
1-(2,4-dimethoxyphenyl)-3-[1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393118

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide (CID 42880290) is N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCN(c3nc4ccccc4n3C3CCCC3)C2)c(OC)c1.
What is the InChIKey of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is RZKKXGOHHPPNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-19-11-12-20(23(15-19)32-2)24(30)26-17-13-14-28(16-17)25-27-21-9-5-6-10-22(21)29(25)18-7-3-4-8-18/h5-6,9-12,15,17-18H,3-4,7-8,13-14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide?
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 42880290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).