[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol

C15H22N2O — CID 82334161

IUPAC[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESCC(C)Cn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H22N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyJEHZXVIBVFAPHC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.31
Rot. Bonds4

About [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol

[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (PubChem CID 82334161) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
PubChem CID82334161
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESCC(C)Cn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H22N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyJEHZXVIBVFAPHC-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910
[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 165416489
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
1-(2-methylpropyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334211
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (CID 82334161) is [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is CC(C)Cn1c(CO)nc2cc(C(C)C)ccc21.
What is the InChIKey of [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The InChIKey is JEHZXVIBVFAPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 82334161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).