4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

C24H25N3 — CID 142602713

IUPAC4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESCC(c1nc2ccccc2[nH]1)C1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C24H25N3/c1-16(24-26-22-8-4-5-9-23(22)27-24)17-10-12-18(13-11-17)19-14-15-25-21-7-3-2-6-20(19)21/h2-9,14-18H,10-13H2,1H3,(H,26,27)
InChIKeyPAXMUJMESOPONE-UHFFFAOYSA-N
MW355.49 g/mol
LogP6.19
Rot. Bonds3

About 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline

4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (PubChem CID 142602713) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
PubChem CID142602713
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline
SMILESCC(c1nc2ccccc2[nH]1)C1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C24H25N3/c1-16(24-26-22-8-4-5-9-23(22)27-24)17-10-12-18(13-11-17)19-14-15-25-21-7-3-2-6-20(19)21/h2-9,14-18H,10-13H2,1H3,(H,26,27)
InChIKeyPAXMUJMESOPONE-UHFFFAOYSA-N
XLogP6.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(1S)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664417
4-[4-[1-(6-cyclopentyl-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664674
tert-butyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazole-5-carboxylate
CID 138664306
4-cyclopentylquinoline
CID 57273226
5-[2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzimidazol-5-yl]-1,3-oxazole
CID 138664462
6-fluoro-4-[4-[1-[6-(1-phosphaspiro[2.3]hexan-1-yloxymethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline
CID 138664584
methyl 2-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155322794
methyl 2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 155318972
2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 155322797
2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-[(1-hydroxycyclobutyl)methyl]-3H-benzimidazole-5-carboxamide
CID 155322789
4-[4-[1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664308
4-[4-[(1S)-1-(7-chloro-4,6-difluoro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 138664686

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The IUPAC name of 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline (CID 142602713) is 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline.
What is the SMILES notation for 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The canonical SMILES for 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is CC(c1nc2ccccc2[nH]1)C1CCC(c2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
The InChIKey is PAXMUJMESOPONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-16(24-26-22-8-4-5-9-23(22)27-24)17-10-12-18(13-11-17)19-14-15-25-21-7-3-2-6-20(19)21/h2-9,14-18H,10-13H2,1H3,(H,26,27).
What are the key properties of 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline?
4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline has a molecular weight of 355.49 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexyl]quinoline is sourced from PubChem (CID 142602713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).