3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol

C14H21N3O — CID 78998124

IUPAC3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
SMILESCCn1c(CNC(C)CCO)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-17-13-7-5-4-6-12(13)16-14(17)10-15-11(2)8-9-18/h4-7,11,15,18H,3,8-10H2,1-2H3
InChIKeyUUEAXNDKPNDWFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds6

About 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol

3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol (PubChem CID 78998124) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
PubChem CID78998124
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
SMILESCCn1c(CNC(C)CCO)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-3-17-13-7-5-4-6-12(13)16-14(17)10-15-11(2)8-9-18/h4-7,11,15,18H,3,8-10H2,1-2H3
InChIKeyUUEAXNDKPNDWFV-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221729
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
CID 55101796
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol (CID 78998124) is 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol is CCn1c(CNC(C)CCO)nc2ccccc21.
What is the InChIKey of 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The InChIKey is UUEAXNDKPNDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17-13-7-5-4-6-12(13)16-14(17)10-15-11(2)8-9-18/h4-7,11,15,18H,3,8-10H2,1-2H3.
What are the key properties of 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78998124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).