1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

C20H28N4O — CID 142258245

IUPAC1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCc1cn(CCC(C)C)c(Cn2c(=O)n(C(C)C)c3ccccc32)n1
InChIInChI=1S/C20H28N4O/c1-14(2)10-11-22-12-16(5)21-19(22)13-23-17-8-6-7-9-18(17)24(15(3)4)20(23)25/h6-9,12,14-15H,10-11,13H2,1-5H3
InChIKeyHIOMOHWXQXPBMM-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.98
Rot. Bonds6

About 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (PubChem CID 142258245) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
PubChem CID142258245
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCc1cn(CCC(C)C)c(Cn2c(=O)n(C(C)C)c3ccccc32)n1
InChIInChI=1S/C20H28N4O/c1-14(2)10-11-22-12-16(5)21-19(22)13-23-17-8-6-7-9-18(17)24(15(3)4)20(23)25/h6-9,12,14-15H,10-11,13H2,1-5H3
InChIKeyHIOMOHWXQXPBMM-UHFFFAOYSA-N
XLogP3.98
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (CID 142258245) is 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is Cc1cn(CCC(C)C)c(Cn2c(=O)n(C(C)C)c3ccccc32)n1.
What is the InChIKey of 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The InChIKey is HIOMOHWXQXPBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)10-11-22-12-16(5)21-19(22)13-23-17-8-6-7-9-18(17)24(15(3)4)20(23)25/h6-9,12,14-15H,10-11,13H2,1-5H3.
What are the key properties of 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-1-(3-methylbutyl)imidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 142258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).