(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide

C19H20ClN3O — CID 51950236

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide
SMILESC[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(10-15-6-5-7-16(20)11-15)22-19(24)14(2)23-12-21-17-8-3-4-9-18(17)23/h3-9,11-14H,10H2,1-2H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyNOCJGGPPPMWFJR-KGLIPLIRSA-N
MW341.84 g/mol
LogP4.00
Rot. Bonds5

About (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide (PubChem CID 51950236) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide
PubChem CID51950236
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide
SMILESC[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C19H20ClN3O/c1-13(10-15-6-5-7-16(20)11-15)22-19(24)14(2)23-12-21-17-8-3-4-9-18(17)23/h3-9,11-14H,10H2,1-2H3,(H,22,24)/t13-,14+/m1/s1
InChIKeyNOCJGGPPPMWFJR-KGLIPLIRSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
CID 129432897
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
2-(benzimidazol-1-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]propanamide
CID 86946514
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968731
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide (CID 51950236) is (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide is C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](C)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide?
The InChIKey is NOCJGGPPPMWFJR-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13(10-15-6-5-7-16(20)11-15)22-19(24)14(2)23-12-21-17-8-3-4-9-18(17)23/h3-9,11-14H,10H2,1-2H3,(H,22,24)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide has a molecular weight of 341.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 51950236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).