(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C16H18BrN3O — CID 110872759

IUPAC(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)c1ccccc1Br)CC2
InChIInChI=1S/C16H18BrN3O/c1-11(2)20-10-18-14-7-8-19(9-15(14)20)16(21)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9H2,1-2H3
InChIKeyZOGAWUUILKMUNV-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.42
Rot. Bonds2

About (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 110872759) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID110872759
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)n1cnc2c1CN(C(=O)c1ccccc1Br)CC2
InChIInChI=1S/C16H18BrN3O/c1-11(2)20-10-18-14-7-8-19(9-15(14)20)16(21)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9H2,1-2H3
InChIKeyZOGAWUUILKMUNV-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110867100
cyclopropyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872742
2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110872772
1-adamantyl-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872795
(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 119043431
(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
CID 110708761
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
6-(2-bromobenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135499018
(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 71687155
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
(2-bromophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 110722406

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 110872759) is (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is CC(C)n1cnc2c1CN(C(=O)c1ccccc1Br)CC2.
What is the InChIKey of (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is ZOGAWUUILKMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-11(2)20-10-18-14-7-8-19(9-15(14)20)16(21)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 348.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 110872759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).