1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine

C17H23N3 — CID 106563814

IUPAC1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine
SMILESCC1CCCCC1Cn1ccnc1Nc1ccccc1
InChIInChI=1S/C17H23N3/c1-14-7-5-6-8-15(14)13-20-12-11-18-17(20)19-16-9-3-2-4-10-16/h2-4,9-12,14-15H,5-8,13H2,1H3,(H,18,19)
InChIKeyFMGKIKAVWJHPLV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.45
Rot. Bonds4

About 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine

1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine (PubChem CID 106563814) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine
PubChem CID106563814
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine
SMILESCC1CCCCC1Cn1ccnc1Nc1ccccc1
InChIInChI=1S/C17H23N3/c1-14-7-5-6-8-15(14)13-20-12-11-18-17(20)19-16-9-3-2-4-10-16/h2-4,9-12,14-15H,5-8,13H2,1H3,(H,18,19)
InChIKeyFMGKIKAVWJHPLV-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine (CID 106563814) is 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine is CC1CCCCC1Cn1ccnc1Nc1ccccc1.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine?
The InChIKey is FMGKIKAVWJHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-7-5-6-8-15(14)13-20-12-11-18-17(20)19-16-9-3-2-4-10-16/h2-4,9-12,14-15H,5-8,13H2,1H3,(H,18,19).
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine?
1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-N-phenylimidazol-2-amine is sourced from PubChem (CID 106563814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).