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

C14H21N3O — CID 93450480

IUPAC(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nc2ccccc2n1CC
InChIInChI=1S/C14H21N3O/c1-3-11(10-18)15-9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,11,15,18H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYACUKKMHKVPDLZ-NSHDSACASA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds6

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

(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol (PubChem CID 93450480) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
PubChem CID93450480
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1nc2ccccc2n1CC
InChIInChI=1S/C14H21N3O/c1-3-11(10-18)15-9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,11,15,18H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyYACUKKMHKVPDLZ-NSHDSACASA-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

3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
CID 55101796
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol (CID 93450480) is (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1nc2ccccc2n1CC.
What is the InChIKey of (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
The InChIKey is YACUKKMHKVPDLZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11(10-18)15-9-14-16-12-7-5-6-8-13(12)17(14)4-2/h5-8,11,15,18H,3-4,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol?
(2S)-2-[(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 (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 93450480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).