2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine

C19H29N3 — CID 162413163

IUPAC2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine
SMILESCc1cccc(C2=N[C@@H](CC(C)C)CN2C2CCCCC2)n1
InChIInChI=1S/C19H29N3/c1-14(2)12-16-13-22(17-9-5-4-6-10-17)19(21-16)18-11-7-8-15(3)20-18/h7-8,11,14,16-17H,4-6,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKeyASLDUTSOSXFFNE-INIZCTEOSA-N
MW299.46 g/mol
LogP4.20
Rot. Bonds4

About 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine

2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine (PubChem CID 162413163) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine
PubChem CID162413163
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine
SMILESCc1cccc(C2=N[C@@H](CC(C)C)CN2C2CCCCC2)n1
InChIInChI=1S/C19H29N3/c1-14(2)12-16-13-22(17-9-5-4-6-10-17)19(21-16)18-11-7-8-15(3)20-18/h7-8,11,14,16-17H,4-6,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKeyASLDUTSOSXFFNE-INIZCTEOSA-N
XLogP4.20
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine?
The IUPAC name of 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine (CID 162413163) is 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine.
What is the SMILES notation for 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine?
The canonical SMILES for 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine is Cc1cccc(C2=N[C@@H](CC(C)C)CN2C2CCCCC2)n1.
What is the InChIKey of 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine?
The InChIKey is ASLDUTSOSXFFNE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3/c1-14(2)12-16-13-22(17-9-5-4-6-10-17)19(21-16)18-11-7-8-15(3)20-18/h7-8,11,14,16-17H,4-6,9-10,12-13H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine?
2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine has a molecular weight of 299.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-cyclohexyl-4-(2-methylpropyl)-4,5-dihydroimidazol-2-yl]-6-methylpyridine is sourced from PubChem (CID 162413163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).