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

C17H18N4O2 — CID 110692317

IUPACN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O2/c1-2-21(10-7-12-5-8-18-9-6-12)16(22)13-3-4-14-15(11-13)20-17(23)19-14/h3-6,8-9,11H,2,7,10H2,1H3,(H2,19,20,23)
InChIKeyDNKWSGRVAVCBDA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.96
Rot. Bonds5

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

N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692317) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692317
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O2/c1-2-21(10-7-12-5-8-18-9-6-12)16(22)13-3-4-14-15(11-13)20-17(23)19-14/h3-6,8-9,11H,2,7,10H2,1H3,(H2,19,20,23)
InChIKeyDNKWSGRVAVCBDA-UHFFFAOYSA-N
XLogP1.96
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692316
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-4-carboxamide
CID 110694438
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
CID 110704750
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinazoline-4-carboxamide
CID 110702531
N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849774
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 20997236
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692317) is N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide is CCN(CCc1ccncc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is DNKWSGRVAVCBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-21(10-7-12-5-8-18-9-6-12)16(22)13-3-4-14-15(11-13)20-17(23)19-14/h3-6,8-9,11H,2,7,10H2,1H3,(H2,19,20,23).
What are the key properties of N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide?
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).