2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole

C22H25ClN4 — CID 141305852

IUPAC2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
SMILESClc1ccc(N2CCC[C@@H](N3CCCC3)C2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H25ClN4/c23-19-10-9-16(27-13-5-6-17(15-27)26-11-3-4-12-26)14-18(19)22-24-20-7-1-2-8-21(20)25-22/h1-2,7-10,14,17H,3-6,11-13,15H2,(H,24,25)/t17-/m1/s1
InChIKeyGKAOBEVTGBCVTI-QGZVFWFLSA-N
MW380.92 g/mol
LogP4.95
Rot. Bonds3

About 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole

2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole (PubChem CID 141305852) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
PubChem CID141305852
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
SMILESClc1ccc(N2CCC[C@@H](N3CCCC3)C2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C22H25ClN4/c23-19-10-9-16(27-13-5-6-17(15-27)26-11-3-4-12-26)14-18(19)22-24-20-7-1-2-8-21(20)25-22/h1-2,7-10,14,17H,3-6,11-13,15H2,(H,24,25)/t17-/m1/s1
InChIKeyGKAOBEVTGBCVTI-QGZVFWFLSA-N
XLogP4.95
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-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-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 67099298
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67099396
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
CID 77225710
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-4-one;ethane
CID 143816258
(3R)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidine-3-carboxylic acid;hydrochloride
CID 66977468
[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59568281
2-(azetidin-1-yl)-1-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]ethanone
CID 59568272
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
2-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 59568220
[1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 67099208

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole (CID 141305852) is 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole is Clc1ccc(N2CCC[C@@H](N3CCCC3)C2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole?
The InChIKey is GKAOBEVTGBCVTI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-19-10-9-16(27-13-5-6-17(15-27)26-11-3-4-12-26)14-18(19)22-24-20-7-1-2-8-21(20)25-22/h1-2,7-10,14,17H,3-6,11-13,15H2,(H,24,25)/t17-/m1/s1.
What are the key properties of 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole?
2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole has a molecular weight of 380.92 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 141305852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).