[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol

C22H22ClN3O — CID 162695086

IUPAC[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol
SMILESOCc1cccc2c1CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2
InChIInChI=1S/C22H22ClN3O/c23-19-7-2-1-6-17(19)22-24-20-8-9-26(12-21(20)25-22)16-10-14-4-3-5-15(13-27)18(14)11-16/h1-7,16,27H,8-13H2,(H,24,25)
InChIKeyWLHFDEYXQBNZHT-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.75
Rot. Bonds3

About [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol

[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol (PubChem CID 162695086) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol
PubChem CID162695086
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol
SMILESOCc1cccc2c1CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2
InChIInChI=1S/C22H22ClN3O/c23-19-7-2-1-6-17(19)22-24-20-8-9-26(12-21(20)25-22)16-10-14-4-3-5-15(13-27)18(14)11-16/h1-7,16,27H,8-13H2,(H,24,25)
InChIKeyWLHFDEYXQBNZHT-UHFFFAOYSA-N
XLogP3.75
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786755
2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786739
2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786833
5-chloro-1,3-dihydroinden-2-one;5-(5-chloro-2,3-dihydro-1H-inden-2-yl)-2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 163810638
4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one
CID 156786790
(3R,4S)-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-6-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
CID 162695095
5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786781
[3-(5-cyclopentyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)phenyl]methanol
CID 91777581
2-[2-chloro-4-(2-cyclopropylethynyl)phenyl]-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786815
2-(2-chlorophenyl)-5-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 156786922
2-(2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 156786860
8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
CID 156786845

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol?
The IUPAC name of [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol (CID 162695086) is [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol.
What is the SMILES notation for [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol?
The canonical SMILES for [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol is OCc1cccc2c1CC(N1CCc3nc(-c4ccccc4Cl)[nH]c3C1)C2.
What is the InChIKey of [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol?
The InChIKey is WLHFDEYXQBNZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-7-2-1-6-17(19)22-24-20-8-9-26(12-21(20)25-22)16-10-14-4-3-5-15(13-27)18(14)11-16/h1-7,16,27H,8-13H2,(H,24,25).
What are the key properties of [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol?
[2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol has a molecular weight of 379.89 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2,3-dihydro-1H-inden-4-yl]methanol is sourced from PubChem (CID 162695086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).