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

C26H26ClN5 — CID 156786755

IUPAC2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cn(-c2cccc3c2CC(N2CCc4nc(-c5ccccc5Cl)[nH]c4C2)CC3)cn1
InChIInChI=1S/C26H26ClN5/c1-17-14-32(16-28-17)25-8-4-5-18-9-10-19(13-21(18)25)31-12-11-23-24(15-31)30-26(29-23)20-6-2-3-7-22(20)27/h2-8,14,16,19H,9-13,15H2,1H3,(H,29,30)
InChIKeyYFMLDWJXDMKCMN-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.14
Rot. Bonds3

About 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

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 (PubChem CID 156786755) has the molecular formula C26H26ClN5 and a molecular weight of 443.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID156786755
Molecular FormulaC26H26ClN5
Molecular Weight443.98 g/mol
Exact Mass443.19
IUPAC Name2-(2-chlorophenyl)-5-[8-(4-methylimidazol-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cn(-c2cccc3c2CC(N2CCc4nc(-c5ccccc5Cl)[nH]c4C2)CC3)cn1
InChIInChI=1S/C26H26ClN5/c1-17-14-32(16-28-17)25-8-4-5-18-9-10-19(13-21(18)25)31-12-11-23-24(15-31)30-26(29-23)20-6-2-3-7-22(20)27/h2-8,14,16,19H,9-13,15H2,1H3,(H,29,30)
InChIKeyYFMLDWJXDMKCMN-UHFFFAOYSA-N
XLogP5.14
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

[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
2-(2-chlorophenyl)-5-(7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786833
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)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786739
5-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-2-(2-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786781
4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one
CID 156786790
8-chloro-2-[(5S)-2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4-dihydro-1H-isoquinoline
CID 156786845
5-[2-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786888
5-[2-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 156786890
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
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
methyl 2-[2-(2-chlorophenyl)-5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-3-yl]acetate
CID 156786744

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2cccc3c2CC(N2CCc4nc(-c5ccccc5Cl)[nH]c4C2)CC3)cn1.
What is the InChIKey of 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?
The InChIKey is YFMLDWJXDMKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5/c1-17-14-32(16-28-17)25-8-4-5-18-9-10-19(13-21(18)25)31-12-11-23-24(15-31)30-26(29-23)20-6-2-3-7-22(20)27/h2-8,14,16,19H,9-13,15H2,1H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 443.98 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156786755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).