3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline

C24H24N2 — CID 53299495

IUPAC3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1
InChIInChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyYDPSHUZIOCEIHN-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.28
Rot. Bonds3

About 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline

3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline (PubChem CID 53299495) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
PubChem CID53299495
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1
InChIInChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2
InChIKeyYDPSHUZIOCEIHN-UHFFFAOYSA-N
XLogP6.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Miransertib
CID 53262401
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Fazadinium Bromide
CID 6321422
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
FK-739 free acid
CID 9801627
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
2-Phenylimidazo(1,2-a)pyridine
CID 201136
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
SB-216995
CID 5171

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline (CID 53299495) is 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline is c1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
The InChIKey is YDPSHUZIOCEIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-3-9-18(10-4-1)17-22-23(20-12-5-2-6-13-20)25-24-21-14-8-7-11-19(21)15-16-26(22)24/h2,5-8,11-16,18H,1,3-4,9-10,17H2.
What are the key properties of 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline?
3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline has a molecular weight of 340.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 53299495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).