1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole

C17H24N2 — CID 167352865

IUPAC1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)n(Cc2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16-14(5)18-17(13(3)4)19(16)11-15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3
InChIKeyNXGNCTXAEMNJBW-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.49
Rot. Bonds4

About 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole

1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole (PubChem CID 167352865) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole
PubChem CID167352865
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole
SMILESCc1nc(C(C)C)n(Cc2ccccc2)c1C(C)C
InChIInChI=1S/C17H24N2/c1-12(2)16-14(5)18-17(13(3)4)19(16)11-15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3
InChIKeyNXGNCTXAEMNJBW-UHFFFAOYSA-N
XLogP4.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
3-benzyl-2-propan-2-yl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 113232523
1-[(4-chlorophenyl)methyl]-4,5-dimethyl-2-propan-2-ylimidazole
CID 91224849
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 161201502
3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766
5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 62220900
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-chloro-4-(2-phenylethyl)-5-propan-2-yl-1,2,4-triazole
CID 63384684

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole?
The IUPAC name of 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole (CID 167352865) is 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole.
What is the SMILES notation for 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole?
The canonical SMILES for 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole is Cc1nc(C(C)C)n(Cc2ccccc2)c1C(C)C.
What is the InChIKey of 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole?
The InChIKey is NXGNCTXAEMNJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)16-14(5)18-17(13(3)4)19(16)11-15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3.
What are the key properties of 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole?
1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole has a molecular weight of 256.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-2,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 167352865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).