7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole

C16H22ClN3 — CID 63144457

IUPAC7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2(CC)CCNC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-3-10-20-14-12(17)6-5-7-13(14)19-15(20)16(4-2)8-9-18-11-16/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyMSZQBXSNKNPIEQ-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.74
Rot. Bonds4

About 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole

7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole (PubChem CID 63144457) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole
PubChem CID63144457
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole
SMILESCCCn1c(C2(CC)CCNC2)nc2cccc(Cl)c21
InChIInChI=1S/C16H22ClN3/c1-3-10-20-14-12(17)6-5-7-13(14)19-15(20)16(4-2)8-9-18-11-16/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyMSZQBXSNKNPIEQ-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole 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 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole?
The IUPAC name of 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole (CID 63144457) is 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole?
The canonical SMILES for 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole is CCCn1c(C2(CC)CCNC2)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole?
The InChIKey is MSZQBXSNKNPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-10-20-14-12(17)6-5-7-13(14)19-15(20)16(4-2)8-9-18-11-16/h5-7,18H,3-4,8-11H2,1-2H3.
What are the key properties of 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole?
7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole has a molecular weight of 291.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-ethylpyrrolidin-3-yl)-1-propylbenzimidazole is sourced from PubChem (CID 63144457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).