(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide

C18H21N3O3 — CID 129432897

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
SMILESC[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-12(10-16(22)17-8-5-9-24-17)20-18(23)13(2)21-11-19-14-6-3-4-7-15(14)21/h3-9,11-13,16,22H,10H2,1-2H3,(H,20,23)/t12-,13+,16-/m1/s1
InChIKeyMXXVUMWMEJRRIV-DVOMOZLQSA-N
MW327.38 g/mol
LogP2.82
Rot. Bonds6

About (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide (PubChem CID 129432897) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
PubChem CID129432897
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
SMILESC[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@H](C)n1cnc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-12(10-16(22)17-8-5-9-24-17)20-18(23)13(2)21-11-19-14-6-3-4-7-15(14)21/h3-9,11-13,16,22H,10H2,1-2H3,(H,20,23)/t12-,13+,16-/m1/s1
InChIKeyMXXVUMWMEJRRIV-DVOMOZLQSA-N
XLogP2.82
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-(benzimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide (CID 129432897) is (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide is C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@H](C)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide?
The InChIKey is MXXVUMWMEJRRIV-DVOMOZLQSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(10-16(22)17-8-5-9-24-17)20-18(23)13(2)21-11-19-14-6-3-4-7-15(14)21/h3-9,11-13,16,22H,10H2,1-2H3,(H,20,23)/t12-,13+,16-/m1/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 129432897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).