3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide

C21H29ClN4O3 — CID 110163833

IUPAC3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C21H29ClN4O3/c1-24-16-4-3-14(22)13-15(16)23-19(24)7-8-20(27)25(2)17-5-6-18(21(17)28)26-9-11-29-12-10-26/h3-4,13,17-18,21,28H,5-12H2,1-2H3/t17-,18-,21-/m1/s1
InChIKeyNWXSDOWCLHSYOD-DBXWQHBBSA-N
MW420.94 g/mol
LogP1.84
Rot. Bonds5

About 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide

3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide (PubChem CID 110163833) has the molecular formula C21H29ClN4O3 and a molecular weight of 420.94 g/mol. Its IUPAC name is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
PubChem CID110163833
Molecular FormulaC21H29ClN4O3
Molecular Weight420.94 g/mol
Exact Mass420.19
IUPAC Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
SMILESCN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C21H29ClN4O3/c1-24-16-4-3-14(22)13-15(16)23-19(24)7-8-20(27)25(2)17-5-6-18(21(17)28)26-9-11-29-12-10-26/h3-4,13,17-18,21,28H,5-12H2,1-2H3/t17-,18-,21-/m1/s1
InChIKeyNWXSDOWCLHSYOD-DBXWQHBBSA-N
XLogP1.84
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide 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

3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]-N-methylpropanamide
CID 110163807
2-(1,2-dimethylindol-5-yl)oxy-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylacetamide
CID 110164809
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24660736
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
4-(5-chloro-1-methylbenzimidazol-2-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 46976307
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 75425810
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
CID 110163930

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide (CID 110163833) is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide.
What is the SMILES notation for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The canonical SMILES for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide is CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
The InChIKey is NWXSDOWCLHSYOD-DBXWQHBBSA-N. The full InChI is InChI=1S/C21H29ClN4O3/c1-24-16-4-3-14(22)13-15(16)23-19(24)7-8-20(27)25(2)17-5-6-18(21(17)28)26-9-11-29-12-10-26/h3-4,13,17-18,21,28H,5-12H2,1-2H3/t17-,18-,21-/m1/s1.
What are the key properties of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide?
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide has a molecular weight of 420.94 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide is sourced from PubChem (CID 110163833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).