2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole

C19H34N2 — CID 70555368

IUPAC2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole
SMILESCCCCC(Cc1ncc[nH]1)CC1CCC(C(C)C)CC1
InChIInChI=1S/C19H34N2/c1-4-5-6-17(14-19-20-11-12-21-19)13-16-7-9-18(10-8-16)15(2)3/h11-12,15-18H,4-10,13-14H2,1-3H3,(H,20,21)
InChIKeyUPUWWPDYWYUDCE-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.61
Rot. Bonds8

About 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole

2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole (PubChem CID 70555368) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole
PubChem CID70555368
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole
SMILESCCCCC(Cc1ncc[nH]1)CC1CCC(C(C)C)CC1
InChIInChI=1S/C19H34N2/c1-4-5-6-17(14-19-20-11-12-21-19)13-16-7-9-18(10-8-16)15(2)3/h11-12,15-18H,4-10,13-14H2,1-3H3,(H,20,21)
InChIKeyUPUWWPDYWYUDCE-UHFFFAOYSA-N
XLogP5.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole?
The IUPAC name of 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole (CID 70555368) is 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole?
The canonical SMILES for 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole is CCCCC(Cc1ncc[nH]1)CC1CCC(C(C)C)CC1.
What is the InChIKey of 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole?
The InChIKey is UPUWWPDYWYUDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-5-6-17(14-19-20-11-12-21-19)13-16-7-9-18(10-8-16)15(2)3/h11-12,15-18H,4-10,13-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole?
2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole has a molecular weight of 290.50 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylcyclohexyl)methyl]hexyl]-1H-imidazole is sourced from PubChem (CID 70555368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).