2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole

C16H21N3 — CID 102892511

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole
SMILESCCn1c(C2NCC3CCCC32)nc2ccccc21
InChIInChI=1S/C16H21N3/c1-2-19-14-9-4-3-8-13(14)18-16(19)15-12-7-5-6-11(12)10-17-15/h3-4,8-9,11-12,15,17H,2,5-7,10H2,1H3
InChIKeyCERHSZVTKHDWFO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.12
Rot. Bonds2

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole (PubChem CID 102892511) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole
PubChem CID102892511
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole
SMILESCCn1c(C2NCC3CCCC32)nc2ccccc21
InChIInChI=1S/C16H21N3/c1-2-19-14-9-4-3-8-13(14)18-16(19)15-12-7-5-6-11(12)10-17-15/h3-4,8-9,11-12,15,17H,2,5-7,10H2,1H3
InChIKeyCERHSZVTKHDWFO-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole 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-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-6-fluoro-1-methylbenzimidazole
CID 102892594
2-(2,3-dihydro-1H-indol-2-yl)-1-ethylbenzimidazole
CID 43325776
2-(1-propylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64812653
3-(4-methyl-1,2,4-triazol-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894913
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
CID 82167764
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
trans-(1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377773
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole (CID 102892511) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole is CCn1c(C2NCC3CCCC32)nc2ccccc21.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole?
The InChIKey is CERHSZVTKHDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-19-14-9-4-3-8-13(14)18-16(19)15-12-7-5-6-11(12)10-17-15/h3-4,8-9,11-12,15,17H,2,5-7,10H2,1H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole is sourced from PubChem (CID 102892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).