4-chloro-1-(cyclohexylmethyl)imidazole

C10H15ClN2 — CID 56616752

IUPAC4-chloro-1-(cyclohexylmethyl)imidazole
SMILESClc1cn(CC2CCCCC2)cn1
InChIInChI=1S/C10H15ClN2/c11-10-7-13(8-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYIBNHTIVJKBUBF-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-1-(cyclohexylmethyl)imidazole

4-chloro-1-(cyclohexylmethyl)imidazole (PubChem CID 56616752) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-chloro-1-(cyclohexylmethyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(cyclohexylmethyl)imidazole
PubChem CID56616752
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-chloro-1-(cyclohexylmethyl)imidazole
SMILESClc1cn(CC2CCCCC2)cn1
InChIInChI=1S/C10H15ClN2/c11-10-7-13(8-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyYIBNHTIVJKBUBF-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(cyclohexylmethyl)imidazole?
The IUPAC name of 4-chloro-1-(cyclohexylmethyl)imidazole (CID 56616752) is 4-chloro-1-(cyclohexylmethyl)imidazole.
What is the SMILES notation for 4-chloro-1-(cyclohexylmethyl)imidazole?
The canonical SMILES for 4-chloro-1-(cyclohexylmethyl)imidazole is Clc1cn(CC2CCCCC2)cn1.
What is the InChIKey of 4-chloro-1-(cyclohexylmethyl)imidazole?
The InChIKey is YIBNHTIVJKBUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-10-7-13(8-12-10)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 4-chloro-1-(cyclohexylmethyl)imidazole?
4-chloro-1-(cyclohexylmethyl)imidazole has a molecular weight of 198.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclohexylmethyl)imidazole is sourced from PubChem (CID 56616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).