[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol

C16H24N2O — CID 82334160

IUPAC[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESCC(C)CCn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-11(2)7-8-18-15-6-5-13(12(3)4)9-14(15)17-16(18)10-19/h5-6,9,11-12,19H,7-8,10H2,1-4H3
InChIKeyJDRATORJUIJGIM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.70
Rot. Bonds5

About [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol

[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (PubChem CID 82334160) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
PubChem CID82334160
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
SMILESCC(C)CCn1c(CO)nc2cc(C(C)C)ccc21
InChIInChI=1S/C16H24N2O/c1-11(2)7-8-18-15-6-5-13(12(3)4)9-14(15)17-16(18)10-19/h5-6,9,11-12,19H,7-8,10H2,1-4H3
InChIKeyJDRATORJUIJGIM-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
[1-(2-methylprop-2-enyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334164
[6-bromo-1-(3-methylbutyl)benzimidazol-2-yl]methanol
CID 22349334
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]methanamine
CID 82332532
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The IUPAC name of [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol (CID 82334160) is [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The canonical SMILES for [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is CC(C)CCn1c(CO)nc2cc(C(C)C)ccc21.
What is the InChIKey of [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
The InChIKey is JDRATORJUIJGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)7-8-18-15-6-5-13(12(3)4)9-14(15)17-16(18)10-19/h5-6,9,11-12,19H,7-8,10H2,1-4H3.
What are the key properties of [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol?
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol has a molecular weight of 260.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 82334160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).