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

C15H20N2O — CID 82334164

IUPAC[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESC=C(C)Cn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H20N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,11,18H,1,8-9H2,2-4H3
InChIKeyVXFBITAYBWAXNB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.23
Rot. Bonds4

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

[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (PubChem CID 82334164) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
PubChem CID82334164
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESC=C(C)Cn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C15H20N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,11,18H,1,8-9H2,2-4H3
InChIKeyVXFBITAYBWAXNB-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82334068
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
CID 82332366
1-[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333991
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
1-(2-methylprop-2-enyl)-2-piperidin-3-yl-5-propan-2-ylbenzimidazole
CID 82334213
2-(chloromethyl)-1-(2-methylprop-2-enyl)-5-propan-2-yloxybenzimidazole
CID 82335383
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
CID 82333162
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

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The IUPAC name of [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (CID 82334164) is [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The canonical SMILES for [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is C=C(C)Cn1c(CO)nc2cc(C(C)C)ccc21.
What is the InChIKey of [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The InChIKey is VXFBITAYBWAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)8-17-14-6-5-12(11(3)4)7-13(14)16-15(17)9-18/h5-7,11,18H,1,8-9H2,2-4H3.
What are the key properties of [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 82334164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).