N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C12H16N4O2 — CID 110692285

IUPACN-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H16N4O2/c1-16(2)6-5-13-11(17)8-3-4-9-10(7-8)15-12(18)14-9/h3-4,7H,5-6H2,1-2H3,(H,13,17)(H2,14,15,18)
InChIKeyWWYNSIWKYMZZHK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.15
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 110692285) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID110692285
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H16N4O2/c1-16(2)6-5-13-11(17)8-3-4-9-10(7-8)15-12(18)14-9/h3-4,7H,5-6H2,1-2H3,(H,13,17)(H2,14,15,18)
InChIKeyWWYNSIWKYMZZHK-UHFFFAOYSA-N
XLogP0.15
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 110692285) is N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is CN(C)CCNC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is WWYNSIWKYMZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(2)6-5-13-11(17)8-3-4-9-10(7-8)15-12(18)14-9/h3-4,7H,5-6H2,1-2H3,(H,13,17)(H2,14,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 110692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).