(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide

C19H26N4O2 — CID 124620774

IUPAC(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(18-21-15-8-4-5-9-16(15)22-18)20-19(24)17-12-25-11-10-23(17)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1
InChIKeyYXZLNIGXDQREFL-GUYCJALGSA-N
MW342.44 g/mol
LogP2.38
Rot. Bonds4

About (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide

(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide (PubChem CID 124620774) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
PubChem CID124620774
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O2/c1-13(18-21-15-8-4-5-9-16(15)22-18)20-19(24)17-12-25-11-10-23(17)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1
InChIKeyYXZLNIGXDQREFL-GUYCJALGSA-N
XLogP2.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide 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

(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 81449437
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 128839198
tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 78806775
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834520
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 55471878
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide (CID 124620774) is (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide is C[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The InChIKey is YXZLNIGXDQREFL-GUYCJALGSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(18-21-15-8-4-5-9-16(15)22-18)20-19(24)17-12-25-11-10-23(17)14-6-2-3-7-14/h4-5,8-9,13-14,17H,2-3,6-7,10-12H2,1H3,(H,20,24)(H,21,22)/t13-,17-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide is sourced from PubChem (CID 124620774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).