2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

C15H14BrN3O — CID 116854107

IUPAC2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc3n(c2C#N)CCCC3)cc1Br
InChIInChI=1S/C15H14BrN3O/c1-20-13-6-5-10(8-11(13)16)15-12(9-17)19-7-3-2-4-14(19)18-15/h5-6,8H,2-4,7H2,1H3
InChIKeyDSNRQZIJCRMUAA-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.53
Rot. Bonds2

About 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 116854107) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID116854107
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2nc3n(c2C#N)CCCC3)cc1Br
InChIInChI=1S/C15H14BrN3O/c1-20-13-6-5-10(8-11(13)16)15-12(9-17)19-7-3-2-4-14(19)18-15/h5-6,8H,2-4,7H2,1H3
InChIKeyDSNRQZIJCRMUAA-UHFFFAOYSA-N
XLogP3.53
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854104
2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854106
2-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
CID 116854123
[3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanamine
CID 116836659
3-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836747
3-bromo-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 657731
3-bromo-2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124802
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 83969556
5-(3-bromo-4-methoxyphenyl)thiophene-2-carbonitrile
CID 82094398
5-(3-bromo-4-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62218652
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
7-methoxy-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
CID 46203464

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 116854107) is 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(-c2nc3n(c2C#N)CCCC3)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is DSNRQZIJCRMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-20-13-6-5-10(8-11(13)16)15-12(9-17)19-7-3-2-4-14(19)18-15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 116854107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).