N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C19H21N3O4 — CID 97007174

IUPACN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4/c1-12-4-3-5-15(8-12)26-11-14(23)10-20-18(24)13-6-7-17-16(9-13)21-19(25)22(17)2/h3-9,14,23H,10-11H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyAXVIMSSTXFRIPF-AWEZNQCLSA-N
MW355.39 g/mol
LogP1.34
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 97007174) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID97007174
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cccc(OC[C@@H](O)CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4/c1-12-4-3-5-15(8-12)26-11-14(23)10-20-18(24)13-6-7-17-16(9-13)21-19(25)22(17)2/h3-9,14,23H,10-11H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyAXVIMSSTXFRIPF-AWEZNQCLSA-N
XLogP1.34
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-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

N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110721809
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
2-[[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526768
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94677835
5-(furan-2-yl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-1H-pyrazole-3-carboxamide
CID 86841396

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 97007174) is N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is Cc1cccc(OC[C@@H](O)CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is AXVIMSSTXFRIPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-4-3-5-15(8-12)26-11-14(23)10-20-18(24)13-6-7-17-16(9-13)21-19(25)22(17)2/h3-9,14,23H,10-11H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 97007174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).