2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol

C13H17N3O — CID 115144104

IUPAC2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
SMILESOCCn1c(NC2CCC2)nc2ccccc21
InChIInChI=1S/C13H17N3O/c17-9-8-16-12-7-2-1-6-11(12)15-13(16)14-10-4-3-5-10/h1-2,6-7,10,17H,3-5,8-9H2,(H,14,15)
InChIKeyDYDIUHVIZNDKBL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds4

About 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol

2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol (PubChem CID 115144104) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
PubChem CID115144104
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol
SMILESOCCn1c(NC2CCC2)nc2ccccc21
InChIInChI=1S/C13H17N3O/c17-9-8-16-12-7-2-1-6-11(12)15-13(16)14-10-4-3-5-10/h1-2,6-7,10,17H,3-5,8-9H2,(H,14,15)
InChIKeyDYDIUHVIZNDKBL-UHFFFAOYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
N-hydroxy-4-[[1-(2-hydroxyethyl)benzimidazol-2-yl]amino]cyclohexa-1,5-diene-1-carboxamide
CID 170013876
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
N-cyclohexyl-1-phenylbenzimidazol-2-amine
CID 53254471
2-(2-cyclohexylsulfanylbenzimidazol-1-yl)ethanol
CID 720880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol (CID 115144104) is 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol is OCCn1c(NC2CCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol?
The InChIKey is DYDIUHVIZNDKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-9-8-16-12-7-2-1-6-11(12)15-13(16)14-10-4-3-5-10/h1-2,6-7,10,17H,3-5,8-9H2,(H,14,15).
What are the key properties of 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol?
2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylamino)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 115144104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).