[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine

C16H21N3 — CID 63108823

IUPAC[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2(c3ccccc3)CCCCC2)[nH]1
InChIInChI=1S/C16H21N3/c17-11-14-12-18-15(19-14)16(9-5-2-6-10-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11,17H2,(H,18,19)
InChIKeyOXPWDADSQQSXIT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.12
Rot. Bonds3

About [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine

[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine (PubChem CID 63108823) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
PubChem CID63108823
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2(c3ccccc3)CCCCC2)[nH]1
InChIInChI=1S/C16H21N3/c17-11-14-12-18-15(19-14)16(9-5-2-6-10-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11,17H2,(H,18,19)
InChIKeyOXPWDADSQQSXIT-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine (CID 63108823) is [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine is NCc1cnc(C2(c3ccccc3)CCCCC2)[nH]1.
What is the InChIKey of [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is OXPWDADSQQSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-11-14-12-18-15(19-14)16(9-5-2-6-10-16)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11,17H2,(H,18,19).
What are the key properties of [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine?
[2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylcyclohexyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 63108823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).