(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

C21H23N4O2+ — CID 9495190

IUPAC(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-14(25-11-9-16(10-12-25)15-5-3-2-4-6-15)20(26)22-17-7-8-18-19(13-17)24-21(27)23-18/h2-9,13-14H,10-12H2,1H3,(H,22,26)(H2,23,24,27)/p+1/t14-/m1/s1
InChIKeyKVXRHBJCGLZMMF-CQSZACIVSA-O
MW363.44 g/mol
LogP1.56
Rot. Bonds4

About (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (PubChem CID 9495190) has the molecular formula C21H23N4O2+ and a molecular weight of 363.44 g/mol. Its IUPAC name is (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
PubChem CID9495190
Molecular FormulaC21H23N4O2+
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Name(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-14(25-11-9-16(10-12-25)15-5-3-2-4-6-15)20(26)22-17-7-8-18-19(13-17)24-21(27)23-18/h2-9,13-14H,10-12H2,1H3,(H,22,26)(H2,23,24,27)/p+1/t14-/m1/s1
InChIKeyKVXRHBJCGLZMMF-CQSZACIVSA-O
XLogP1.56
TPSA82.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)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

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495171
(2S)-N-(3-chloro-4-cyanophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495238
(2S)-N-(2,6-dichlorophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495059
(2S)-N-cyclopentyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 8513050
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 8512960
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248740
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 8759089
1-[(2S)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]imidazolidin-2-one
CID 8754338
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide (CID 9495190) is (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
The InChIKey is KVXRHBJCGLZMMF-CQSZACIVSA-O. The full InChI is InChI=1S/C21H22N4O2/c1-14(25-11-9-16(10-12-25)15-5-3-2-4-6-15)20(26)22-17-7-8-18-19(13-17)24-21(27)23-18/h2-9,13-14H,10-12H2,1H3,(H,22,26)(H2,23,24,27)/p+1/t14-/m1/s1.
What are the key properties of (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide?
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 9495190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).