2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole

C12H18N2 — CID 59096667

IUPAC2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole
SMILESCn1c(C(C)(C)C)nc2c1CCC=C2
InChIInChI=1S/C12H18N2/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4/h5,7H,6,8H2,1-4H3
InChIKeyWPMHHOLFHRYZDO-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.68
Rot. Bonds

About 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole

2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole (PubChem CID 59096667) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole
PubChem CID59096667
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole
SMILESCn1c(C(C)(C)C)nc2c1CCC=C2
InChIInChI=1S/C12H18N2/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4/h5,7H,6,8H2,1-4H3
InChIKeyWPMHHOLFHRYZDO-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole?
The IUPAC name of 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole (CID 59096667) is 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole is Cn1c(C(C)(C)C)nc2c1CCC=C2.
What is the InChIKey of 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole?
The InChIKey is WPMHHOLFHRYZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4/h5,7H,6,8H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole?
2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 59096667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).