4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine

C24H29ClN4O3S — CID 55839475

IUPAC4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
SMILESCCn1c(CN2CCCC2c2ccccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H29ClN4O3S/c1-2-29-23-10-9-18(33(30,31)28-12-14-32-15-13-28)16-21(23)26-24(29)17-27-11-5-8-22(27)19-6-3-4-7-20(19)25/h3-4,6-7,9-10,16,22H,2,5,8,11-15,17H2,1H3
InChIKeyQHZZBAHZYTZVNY-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.07
Rot. Bonds6

About 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine

4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine (PubChem CID 55839475) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
PubChem CID55839475
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
SMILESCCn1c(CN2CCCC2c2ccccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C24H29ClN4O3S/c1-2-29-23-10-9-18(33(30,31)28-12-14-32-15-13-28)16-21(23)26-24(29)17-27-11-5-8-22(27)19-6-3-4-7-20(19)25/h3-4,6-7,9-10,16,22H,2,5,8,11-15,17H2,1H3
InChIKeyQHZZBAHZYTZVNY-UHFFFAOYSA-N
XLogP4.07
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine 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-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-5-piperidin-1-ylsulfonylbenzimidazole
CID 25339361
1-ethyl-5-piperidin-1-ylsulfonyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzimidazole
CID 55849723
1-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 42914016
N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 39753156
(2S)-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40821039
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-3-chlorobenzoate
CID 24531252
N-cyclopentyl-N-ethyl-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55587643
(1R)-1-(3,4-dichlorophenyl)-N-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine
CID 41152806
(2S)-4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40821041
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
2-O-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504834
2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 41169559

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine (CID 55839475) is 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine is CCn1c(CN2CCCC2c2ccccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The InChIKey is QHZZBAHZYTZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-2-29-23-10-9-18(33(30,31)28-12-14-32-15-13-28)16-21(23)26-24(29)17-27-11-5-8-22(27)19-6-3-4-7-20(19)25/h3-4,6-7,9-10,16,22H,2,5,8,11-15,17H2,1H3.
What are the key properties of 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine has a molecular weight of 489.04 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine is sourced from PubChem (CID 55839475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).