2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol

C14H18N2O — CID 84693728

IUPAC2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
SMILESCC(C)n1c(C2CCC2)nc2cc(O)ccc21
InChIInChI=1S/C14H18N2O/c1-9(2)16-13-7-6-11(17)8-12(13)15-14(16)10-4-3-5-10/h6-10,17H,3-5H2,1-2H3
InChIKeyORTWEGZGIHFCGQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.59
Rot. Bonds2

About 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol

2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol (PubChem CID 84693728) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol.

Molecular Properties

Compound Name2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
PubChem CID84693728
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol
SMILESCC(C)n1c(C2CCC2)nc2cc(O)ccc21
InChIInChI=1S/C14H18N2O/c1-9(2)16-13-7-6-11(17)8-12(13)15-14(16)10-4-3-5-10/h6-10,17H,3-5H2,1-2H3
InChIKeyORTWEGZGIHFCGQ-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclobutyl-1-propan-2-ylbenzimidazol-5-yl)methanamine
CID 65037850
2-cyclohexyl-1-propan-2-ylbenzimidazol-5-amine
CID 82380445
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040645
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
[4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 79525751
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103979426
cis-(1S,3R)-3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 106322507
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)cyclopentan-1-amine
CID 64814752
2-(2-aminocyclopentyl)-1-methylbenzimidazol-5-ol
CID 83857926
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 119887256
3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 63044382

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol?
The IUPAC name of 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol (CID 84693728) is 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol.
What is the SMILES notation for 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol?
The canonical SMILES for 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol is CC(C)n1c(C2CCC2)nc2cc(O)ccc21.
What is the InChIKey of 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol?
The InChIKey is ORTWEGZGIHFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)16-13-7-6-11(17)8-12(13)15-14(16)10-4-3-5-10/h6-10,17H,3-5H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol?
2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol has a molecular weight of 230.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-propan-2-ylbenzimidazol-5-ol is sourced from PubChem (CID 84693728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).