(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide

C20H18N4OS — CID 99804213

IUPAC(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N[C@H](c1ccccc1)c1nccs1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4OS/c1-14(24-13-22-16-9-5-6-10-17(16)24)19(25)23-18(20-21-11-12-26-20)15-7-3-2-4-8-15/h2-14,18H,1H3,(H,23,25)/t14-,18-/m1/s1
InChIKeyGDZYMDMWPRFALO-RDTXWAMCSA-N
MW362.46 g/mol
LogP3.96
Rot. Bonds5

About (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide

(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 99804213) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
PubChem CID99804213
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
SMILESC[C@H](C(=O)N[C@H](c1ccccc1)c1nccs1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4OS/c1-14(24-13-22-16-9-5-6-10-17(16)24)19(25)23-18(20-21-11-12-26-20)15-7-3-2-4-8-15/h2-14,18H,1H3,(H,23,25)/t14-,18-/m1/s1
InChIKeyGDZYMDMWPRFALO-RDTXWAMCSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide (CID 99804213) is (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide is C[C@H](C(=O)N[C@H](c1ccccc1)c1nccs1)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is GDZYMDMWPRFALO-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14(24-13-22-16-9-5-6-10-17(16)24)19(25)23-18(20-21-11-12-26-20)15-7-3-2-4-8-15/h2-14,18H,1H3,(H,23,25)/t14-,18-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide?
(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 362.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 99804213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).