2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol

C17H24N2O — CID 123183678

IUPAC2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2nc(CCC3CCC3)[nH]c2c1
InChIInChI=1S/C17H24N2O/c1-17(2,11-20)13-7-8-14-15(10-13)19-16(18-14)9-6-12-4-3-5-12/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H,18,19)
InChIKeyXJMRSLOAMWBWOD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.57
Rot. Bonds5

About 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol

2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol (PubChem CID 123183678) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol
PubChem CID123183678
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2nc(CCC3CCC3)[nH]c2c1
InChIInChI=1S/C17H24N2O/c1-17(2,11-20)13-7-8-14-15(10-13)19-16(18-14)9-6-12-4-3-5-12/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H,18,19)
InChIKeyXJMRSLOAMWBWOD-UHFFFAOYSA-N
XLogP3.57
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456132
6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole
CID 126713121
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959
2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-(2-hydroxypropan-2-yl)amino]methyl]oxolane-3,4-diol
CID 123444223
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylazanium;bis([(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylazanium);hydroxide
CID 158914440
5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(cyclobutylmethyl)amino]methyl]-2-methylcyclopentan-1-ol
CID 77439606
2-[2-[2-[3-[[[5-(6-aminopurin-9-yl)oxolan-2-yl]amino]-(2-hydroxypropan-2-yl)amino]cyclobutyl]ethyl]-3H-benzimidazol-5-yl]-2-methylpropane-1,3-diol
CID 144770559
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 107397319

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol (CID 123183678) is 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc2nc(CCC3CCC3)[nH]c2c1.
What is the InChIKey of 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is XJMRSLOAMWBWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,11-20)13-7-8-14-15(10-13)19-16(18-14)9-6-12-4-3-5-12/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol?
2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 123183678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).