(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide

C24H24N4O3 — CID 96535378

IUPAC(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
SMILESCc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C24H24N4O3/c1-15-13-18(29)14-21(30)28(15)16(2)24(31)26-22(17-9-5-4-6-10-17)23-25-19-11-7-8-12-20(19)27(23)3/h4-14,16,22,29H,1-3H3,(H,26,31)/t16-,22+/m1/s1
InChIKeyYJAOABVOGUSBBE-ZHRRBRCNSA-N
MW416.48 g/mol
LogP3.22
Rot. Bonds5

About (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide

(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide (PubChem CID 96535378) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
PubChem CID96535378
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide
SMILESCc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C
InChIInChI=1S/C24H24N4O3/c1-15-13-18(29)14-21(30)28(15)16(2)24(31)26-22(17-9-5-4-6-10-17)23-25-19-11-7-8-12-20(19)27(23)3/h4-14,16,22,29H,1-3H3,(H,26,31)/t16-,22+/m1/s1
InChIKeyYJAOABVOGUSBBE-ZHRRBRCNSA-N
XLogP3.22
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide 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

N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
3-[[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]methyl]phenol
CID 95567517
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
1-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylurea
CID 52535419
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide?
The IUPAC name of (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide (CID 96535378) is (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide?
The canonical SMILES for (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide is Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C.
What is the InChIKey of (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide?
The InChIKey is YJAOABVOGUSBBE-ZHRRBRCNSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-13-18(29)14-21(30)28(15)16(2)24(31)26-22(17-9-5-4-6-10-17)23-25-19-11-7-8-12-20(19)27(23)3/h4-14,16,22,29H,1-3H3,(H,26,31)/t16-,22+/m1/s1.
What are the key properties of (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide?
(2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide has a molecular weight of 416.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]propanamide is sourced from PubChem (CID 96535378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).