6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole

C26H29Cl2N3 — CID 78120801

IUPAC6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C4CCCCC4)CC3)cc21
InChIInChI=1S/C26H29Cl2N3/c1-18(23-9-8-21(27)16-24(23)28)31-17-29-25-10-7-20(15-26(25)31)19-11-13-30(14-12-19)22-5-3-2-4-6-22/h7-11,15-18,22H,2-6,12-14H2,1H3
InChIKeyFRBUTENBAZQQME-UHFFFAOYSA-N
MW454.45 g/mol
LogP7.37
Rot. Bonds4

About 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole

6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole (PubChem CID 78120801) has the molecular formula C26H29Cl2N3 and a molecular weight of 454.45 g/mol. Its IUPAC name is 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole.

Molecular Properties

Compound Name6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole
PubChem CID78120801
Molecular FormulaC26H29Cl2N3
Molecular Weight454.45 g/mol
Exact Mass453.17
IUPAC Name6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C4CCCCC4)CC3)cc21
InChIInChI=1S/C26H29Cl2N3/c1-18(23-9-8-21(27)16-24(23)28)31-17-29-25-10-7-20(15-26(25)31)19-11-13-30(14-12-19)22-5-3-2-4-6-22/h7-11,15-18,22H,2-6,12-14H2,1H3
InChIKeyFRBUTENBAZQQME-UHFFFAOYSA-N
XLogP7.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole with MolForge

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Related Compounds

[4-[3-[(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone
CID 134490866
[4-[3-[1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 78121024
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-fluorobenzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71582608
[4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)benzimidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 71581672
1-[1-(2,4-dichlorophenyl)ethyl]-6-(2-methylpiperazin-1-yl)benzimidazole
CID 134490854
2-[(3S)-3-[4-[4-chloro-3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]piperidin-1-yl]acetic acid
CID 71582622
[(2R)-2-amino-4-[3-[(1R)-1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 130444756
(3-aminopiperidin-1-yl)-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]piperidin-4-yl]methanone
CID 78120696
N-[1-[3-[1-(2,4-dichlorophenyl)ethyl]benzimidazol-5-yl]pyrrolidin-3-yl]-N-methylpyrrolidine-2-carboxamide
CID 130444885
azetidin-2-yl-[4-[1-[1-(2,4-dichlorophenyl)ethyl]indazol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 149056884
5-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(1-piperidin-3-yl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-4-amine;dihydrochloride
CID 169253305
(4E,5E)-4-but-3-enylidene-5-[2-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)ethylidene]-1-[1-(2,4-dichlorophenyl)ethyl]pyrazole-3-carbonitrile
CID 130444204

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole?
The IUPAC name of 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole (CID 78120801) is 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole.
What is the SMILES notation for 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole?
The canonical SMILES for 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole is CC(c1ccc(Cl)cc1Cl)n1cnc2ccc(C3=CCN(C4CCCCC4)CC3)cc21.
What is the InChIKey of 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole?
The InChIKey is FRBUTENBAZQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3/c1-18(23-9-8-21(27)16-24(23)28)31-17-29-25-10-7-20(15-26(25)31)19-11-13-30(14-12-19)22-5-3-2-4-6-22/h7-11,15-18,22H,2-6,12-14H2,1H3.
What are the key properties of 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole?
6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole has a molecular weight of 454.45 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-(2,4-dichlorophenyl)ethyl]benzimidazole is sourced from PubChem (CID 78120801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).