2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

C20H18N4O — CID 556949

IUPAC2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1
InChIInChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3
InChIKeyNNDZQTROGIOFNM-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.44
Rot. Bonds4

About 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 556949) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID556949
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1
InChIInChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3
InChIKeyNNDZQTROGIOFNM-UHFFFAOYSA-N
XLogP4.44
TPSA66.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Noberastine
CID 60531
AC1903
CID 667146
2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
7-[2-(Furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 67889361
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
2-[[5-(3-Cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]methylidene]propanedinitrile
CID 145961655

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 556949) is 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCc1ccco1.
What is the InChIKey of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is NNDZQTROGIOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-15-13(2)16(11-21)20-23-17-8-4-5-9-18(17)24(20)19(15)22-12-14-7-6-10-25-14/h4-10,22H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 330.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 556949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).