ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile

C17H18N4O — CID 171100787

IUPACethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
SMILESCC.Cc1ccc(-n2c(=O)n(C)c3cc(C#N)ccc32)cn1
InChIInChI=1S/C15H12N4O.C2H6/c1-10-3-5-12(9-17-10)19-13-6-4-11(8-16)7-14(13)18(2)15(19)20;1-2/h3-7,9H,1-2H3;1-2H3
InChIKeyWUTHASLBACCRFP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.93
Rot. Bonds1

About ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile

ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile (PubChem CID 171100787) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile.

Molecular Properties

Compound Nameethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
PubChem CID171100787
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Nameethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile
SMILESCC.Cc1ccc(-n2c(=O)n(C)c3cc(C#N)ccc32)cn1
InChIInChI=1S/C15H12N4O.C2H6/c1-10-3-5-12(9-17-10)19-13-6-4-11(8-16)7-14(13)18(2)15(19)20;1-2/h3-7,9H,1-2H3;1-2H3
InChIKeyWUTHASLBACCRFP-UHFFFAOYSA-N
XLogP2.93
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-3-pyridinyl)-2-oxo-3H-benzimidazole-5-carbonitrile
CID 171100950
1-methyl-3-(6-propan-2-yl-3-pyridinyl)benzimidazol-2-one
CID 171746170
6-methylpyridine-3-carbonitrile;propane
CID 142590874
3,4-diaminobenzonitrile;1,3-dimethyl-2-oxobenzimidazole-5-carbonitrile;methane;2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
CID 157099123
4-[2-(3-cyanophenyl)ethynyl]-5-methyl-1-(6-methyl-3-pyridinyl)imidazole-2-carboxamide;4-ethynyl-5-methyl-1-(6-methyl-3-pyridinyl)imidazole-2-carboxamide
CID 167698798
6-[2-(6-methyl-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 141133529
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375
3-(3,4-dimethylphenyl)benzimidazole-5-carbonitrile
CID 122422823
methyl 3-(5-cyano-3-methyl-2-oxobenzimidazol-1-yl)cyclobutane-1-carboxylate
CID 135182605
1-[(4-aminocyclohexyl)methyl]-3-(6-methyl-3-pyridinyl)benzimidazol-2-one
CID 175081481
4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile?
The IUPAC name of ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile (CID 171100787) is ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile.
What is the SMILES notation for ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile?
The canonical SMILES for ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile is CC.Cc1ccc(-n2c(=O)n(C)c3cc(C#N)ccc32)cn1.
What is the InChIKey of ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile?
The InChIKey is WUTHASLBACCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O.C2H6/c1-10-3-5-12(9-17-10)19-13-6-4-11(8-16)7-14(13)18(2)15(19)20;1-2/h3-7,9H,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile?
ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(6-methyl-3-pyridinyl)-2-oxobenzimidazole-5-carbonitrile is sourced from PubChem (CID 171100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).