1,3-bis(cyclohexylmethyl)-2H-imidazole

C17H30N2 — CID 91136338

IUPAC1,3-bis(cyclohexylmethyl)-2H-imidazole
SMILESC1=CN(CC2CCCCC2)CN1CC1CCCCC1
InChIInChI=1S/C17H30N2/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17/h11-12,16-17H,1-10,13-15H2
InChIKeyMTJPTVOWGCEYSH-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.19
Rot. Bonds4

About 1,3-bis(cyclohexylmethyl)-2H-imidazole

1,3-bis(cyclohexylmethyl)-2H-imidazole (PubChem CID 91136338) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,3-bis(cyclohexylmethyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(cyclohexylmethyl)-2H-imidazole
PubChem CID91136338
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,3-bis(cyclohexylmethyl)-2H-imidazole
SMILESC1=CN(CC2CCCCC2)CN1CC1CCCCC1
InChIInChI=1S/C17H30N2/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17/h11-12,16-17H,1-10,13-15H2
InChIKeyMTJPTVOWGCEYSH-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(cyclohexylmethyl)-2H-imidazole?
The IUPAC name of 1,3-bis(cyclohexylmethyl)-2H-imidazole (CID 91136338) is 1,3-bis(cyclohexylmethyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(cyclohexylmethyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(cyclohexylmethyl)-2H-imidazole is C1=CN(CC2CCCCC2)CN1CC1CCCCC1.
What is the InChIKey of 1,3-bis(cyclohexylmethyl)-2H-imidazole?
The InChIKey is MTJPTVOWGCEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-7-16(8-4-1)13-18-11-12-19(15-18)14-17-9-5-2-6-10-17/h11-12,16-17H,1-10,13-15H2.
What are the key properties of 1,3-bis(cyclohexylmethyl)-2H-imidazole?
1,3-bis(cyclohexylmethyl)-2H-imidazole has a molecular weight of 262.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(cyclohexylmethyl)-2H-imidazole is sourced from PubChem (CID 91136338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).