5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile

C14H16N4O — CID 65336015

IUPAC5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile
SMILESCCc1nc(-c2ccc(OC)c(C#N)c2)c(N)n1C
InChIInChI=1S/C14H16N4O/c1-4-12-17-13(14(16)18(12)2)9-5-6-11(19-3)10(7-9)8-15/h5-7H,4,16H2,1-3H3
InChIKeyUNIOPTUHQPHOPL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.11
Rot. Bonds3

About 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile

5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile (PubChem CID 65336015) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile
PubChem CID65336015
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile
SMILESCCc1nc(-c2ccc(OC)c(C#N)c2)c(N)n1C
InChIInChI=1S/C14H16N4O/c1-4-12-17-13(14(16)18(12)2)9-5-6-11(19-3)10(7-9)8-15/h5-7H,4,16H2,1-3H3
InChIKeyUNIOPTUHQPHOPL-UHFFFAOYSA-N
XLogP2.11
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
5-(3,4-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220657
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
CID 65336599
5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336593
5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336309
5-(3-chlorophenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226374
5-(3-bromo-4-methoxyphenyl)-3-butyl-2-ethylimidazol-4-amine
CID 62219915
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
5-(5-amino-2-cyclopropyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336405
5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936587
4-[3-(difluoromethoxy)-4-methoxyphenyl]-2-ethylimidazole-1,5-diamine
CID 62483599
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile (CID 65336015) is 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile is CCc1nc(-c2ccc(OC)c(C#N)c2)c(N)n1C.
What is the InChIKey of 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile?
The InChIKey is UNIOPTUHQPHOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-12-17-13(14(16)18(12)2)9-5-6-11(19-3)10(7-9)8-15/h5-7H,4,16H2,1-3H3.
What are the key properties of 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile?
5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 65336015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).