1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole

C19H28N4 — CID 45204631

IUPAC1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
SMILESCCn1c(CN2CCCC(N3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H28N4/c1-2-23-18-10-4-3-9-17(18)20-19(23)15-21-11-7-8-16(14-21)22-12-5-6-13-22/h3-4,9-10,16H,2,5-8,11-15H2,1H3
InChIKeyOVXMEIWGJFLCNP-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole

1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole (PubChem CID 45204631) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
PubChem CID45204631
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
SMILESCCn1c(CN2CCCC(N3CCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H28N4/c1-2-23-18-10-4-3-9-17(18)20-19(23)15-21-11-7-8-16(14-21)22-12-5-6-13-22/h3-4,9-10,16H,2,5-8,11-15H2,1H3
InChIKeyOVXMEIWGJFLCNP-UHFFFAOYSA-N
XLogP3.12
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole 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

2-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 56716738
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124913693
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45232932
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
2-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1-propylbenzimidazole
CID 95792196
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831139

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole (CID 45204631) is 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole is CCn1c(CN2CCCC(N3CCCC3)C2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole?
The InChIKey is OVXMEIWGJFLCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-2-23-18-10-4-3-9-17(18)20-19(23)15-21-11-7-8-16(14-21)22-12-5-6-13-22/h3-4,9-10,16H,2,5-8,11-15H2,1H3.
What are the key properties of 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole?
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole has a molecular weight of 312.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 45204631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).