7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide

C21H25N3O3 — CID 69317327

IUPAC7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c(O)c1CC[C@@H](O)c1ccccc1C
InChIInChI=1S/C21H25N3O3/c1-12-7-5-6-8-14(12)18(25)10-9-15-16(21(27)22-3)11-17-19(20(15)26)23-13(2)24(17)4/h5-8,11,18,25-26H,9-10H2,1-4H3,(H,22,27)/t18-/m1/s1
InChIKeyCFUHLLVTDKKCBY-GOSISDBHSA-N
MW367.45 g/mol
LogP2.92
Rot. Bonds5

About 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide

7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide (PubChem CID 69317327) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide
PubChem CID69317327
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2c(nc(C)n2C)c(O)c1CC[C@@H](O)c1ccccc1C
InChIInChI=1S/C21H25N3O3/c1-12-7-5-6-8-14(12)18(25)10-9-15-16(21(27)22-3)11-17-19(20(15)26)23-13(2)24(17)4/h5-8,11,18,25-26H,9-10H2,1-4H3,(H,22,27)/t18-/m1/s1
InChIKeyCFUHLLVTDKKCBY-GOSISDBHSA-N
XLogP2.92
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide 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

(8S)-N,2,3-trimethyl-8-(2-propan-2-ylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603116
2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-N-methylpyridine-3-carboxamide
CID 133322148
(8S)-N,2,3-trimethyl-8-naphthalen-1-yl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 15603322
N,2',3'-trimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 11983211
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
CID 90870116
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
(8S)-8-(4-chlorophenyl)-N,2,3-trimethyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 46220721
2-[bis(trimethylsilyl)methyl]-N-methylbenzamide
CID 10637506
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide (CID 69317327) is 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide is CNC(=O)c1cc2c(nc(C)n2C)c(O)c1CC[C@@H](O)c1ccccc1C.
What is the InChIKey of 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
The InChIKey is CFUHLLVTDKKCBY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-12-7-5-6-8-14(12)18(25)10-9-15-16(21(27)22-3)11-17-19(20(15)26)23-13(2)24(17)4/h5-8,11,18,25-26H,9-10H2,1-4H3,(H,22,27)/t18-/m1/s1.
What are the key properties of 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide?
7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(3R)-3-hydroxy-3-(2-methylphenyl)propyl]-N,2,3-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 69317327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).