(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

C21H19N3OS — CID 39059871

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)n1cnc2ccccc21
InChIInChI=1S/C21H19N3OS/c1-15(24-14-22-17-10-5-6-11-18(17)24)21(25)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-15,20H,1H3,(H,23,25)/t15-,20+/m1/s1
InChIKeyUMWCYDBJLHZCBA-QRWLVFNGSA-N
MW361.47 g/mol
LogP4.56
Rot. Bonds5

About (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 39059871) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID39059871
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)n1cnc2ccccc21
InChIInChI=1S/C21H19N3OS/c1-15(24-14-22-17-10-5-6-11-18(17)24)21(25)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-15,20H,1H3,(H,23,25)/t15-,20+/m1/s1
InChIKeyUMWCYDBJLHZCBA-QRWLVFNGSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 99804213
2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid
CID 62697653
2-(benzimidazol-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855843
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 55021920
(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142229
(2S)-2-(benzimidazol-1-yl)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142230
(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-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 43063887
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (CID 39059871) is (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is C[C@H](C(=O)N[C@@H](c1ccccc1)c1cccs1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is UMWCYDBJLHZCBA-QRWLVFNGSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-15(24-14-22-17-10-5-6-11-18(17)24)21(25)23-20(19-12-7-13-26-19)16-8-3-2-4-9-16/h2-15,20H,1H3,(H,23,25)/t15-,20+/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 39059871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).