N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide

C19H21N3O3 — CID 111122028

IUPACN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)N(CCO)CCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O3/c1-21-17-8-7-15(13-16(17)20-19(21)25)18(24)22(11-12-23)10-9-14-5-3-2-4-6-14/h2-8,13,23H,9-12H2,1H3,(H,20,25)
InChIKeyINOKVLSCESBIFY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.54
Rot. Bonds6

About N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide

N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 111122028) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID111122028
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)N(CCO)CCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O3/c1-21-17-8-7-15(13-16(17)20-19(21)25)18(24)22(11-12-23)10-9-14-5-3-2-4-6-14/h2-8,13,23H,9-12H2,1H3,(H,20,25)
InChIKeyINOKVLSCESBIFY-UHFFFAOYSA-N
XLogP1.54
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-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-(2-aminoethyl)-1-cyclopentyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 120884273
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
N-(2-hydroxyethyl)-5-oxo-N-(2-phenylethyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703892
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
N-(2-hydroxyethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75390476
N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844755
N-butyl-3-ethyl-N-(2-hydroxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78897733

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide (CID 111122028) is N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)N(CCO)CCc3ccccc3)ccc21.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is INOKVLSCESBIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-17-8-7-15(13-16(17)20-19(21)25)18(24)22(11-12-23)10-9-14-5-3-2-4-6-14/h2-8,13,23H,9-12H2,1H3,(H,20,25).
What are the key properties of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide?
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 111122028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).