N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide

C16H16N4O2 — CID 110692316

IUPACN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c1-20(9-6-11-4-7-17-8-5-11)15(21)12-2-3-13-14(10-12)19-16(22)18-13/h2-5,7-8,10H,6,9H2,1H3,(H2,18,19,22)
InChIKeyDLMLDGRXBAEWBB-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide

N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692316) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692316
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16N4O2/c1-20(9-6-11-4-7-17-8-5-11)15(21)12-2-3-13-14(10-12)19-16(22)18-13/h2-5,7-8,10H,6,9H2,1H3,(H2,18,19,22)
InChIKeyDLMLDGRXBAEWBB-UHFFFAOYSA-N
XLogP1.57
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765642
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
3-amino-4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 39372172
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
N,1,2-trimethyl-3-oxo-N-(2-pyridin-4-ylethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 146090860
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692316) is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide is CN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is DLMLDGRXBAEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20(9-6-11-4-7-17-8-5-11)15(21)12-2-3-13-14(10-12)19-16(22)18-13/h2-5,7-8,10H,6,9H2,1H3,(H2,18,19,22).
What are the key properties of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).