2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide

C19H21N3O2 — CID 171688040

IUPAC2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C(C)C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-12(2)22-17-10-9-15(11-16(17)21-19(22)24)18(23)20-13(3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,23)(H,21,24)
InChIKeyMPAMWVIPCUMPFO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.40
Rot. Bonds4

About 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide

2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 171688040) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID171688040
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C(C)C)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-12(2)22-17-10-9-15(11-16(17)21-19(22)24)18(23)20-13(3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,23)(H,21,24)
InChIKeyMPAMWVIPCUMPFO-UHFFFAOYSA-N
XLogP3.40
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111022
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
1-ethyl-N-[(1S)-1-naphthalen-2-ylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40986105
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
CID 43524092
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051451

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 171688040) is 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)[nH]c(=O)n2C(C)C)c1ccccc1.
What is the InChIKey of 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is MPAMWVIPCUMPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)22-17-10-9-15(11-16(17)21-19(22)24)18(23)20-13(3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylethyl)-1-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 171688040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).