6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline

C23H22ClN3 — CID 138664250

IUPAC6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESClc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1
InChIInChI=1S/C23H22ClN3/c24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-16H,3-6,12H2,(H,26,27)
InChIKeyPIENHQQPIDAMOV-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.28
Rot. Bonds3

About 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline

6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (PubChem CID 138664250) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.

Molecular Properties

Compound Name6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
PubChem CID138664250
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline
SMILESClc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1
InChIInChI=1S/C23H22ClN3/c24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-16H,3-6,12H2,(H,26,27)
InChIKeyPIENHQQPIDAMOV-UHFFFAOYSA-N
XLogP6.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The IUPAC name of 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline (CID 138664250) is 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline.
What is the SMILES notation for 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The canonical SMILES for 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is Clc1ccc2nc(CC3CCC(c4ccc5ncccc5c4)CC3)[nH]c2c1.
What is the InChIKey of 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
The InChIKey is PIENHQQPIDAMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c24-19-8-10-21-22(14-19)27-23(26-21)12-15-3-5-16(6-4-15)17-7-9-20-18(13-17)2-1-11-25-20/h1-2,7-11,13-16H,3-6,12H2,(H,26,27).
What are the key properties of 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline?
6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline has a molecular weight of 375.90 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-chloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]quinoline is sourced from PubChem (CID 138664250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).