N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide

C19H25N3O — CID 71845814

IUPACN-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide
SMILESCC1CCCC(NC(=O)C(C)n2ccnc2-c2ccccc2)C1
InChIInChI=1S/C19H25N3O/c1-14-7-6-10-17(13-14)21-19(23)15(2)22-12-11-20-18(22)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17H,6-7,10,13H2,1-2H3,(H,21,23)
InChIKeyIMQQOVKHAUOSBO-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.81
Rot. Bonds4

About N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide

N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide (PubChem CID 71845814) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide
PubChem CID71845814
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide
SMILESCC1CCCC(NC(=O)C(C)n2ccnc2-c2ccccc2)C1
InChIInChI=1S/C19H25N3O/c1-14-7-6-10-17(13-14)21-19(23)15(2)22-12-11-20-18(22)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17H,6-7,10,13H2,1-2H3,(H,21,23)
InChIKeyIMQQOVKHAUOSBO-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide (CID 71845814) is N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide is CC1CCCC(NC(=O)C(C)n2ccnc2-c2ccccc2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide?
The InChIKey is IMQQOVKHAUOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-7-6-10-17(13-14)21-19(23)15(2)22-12-11-20-18(22)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17H,6-7,10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide?
N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-(2-phenylimidazol-1-yl)propanamide is sourced from PubChem (CID 71845814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).