2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol

C16H25N3O — CID 106254051

IUPAC2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCc1nc2cc(N)ccc2n1CC(CC)(CC)CO
InChIInChI=1S/C16H25N3O/c1-4-15-18-13-9-12(17)7-8-14(13)19(15)10-16(5-2,6-3)11-20/h7-9,20H,4-6,10-11,17H2,1-3H3
InChIKeyGPBXZPIYDAFODK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.98
Rot. Bonds6

About 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol

2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol (PubChem CID 106254051) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
PubChem CID106254051
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCc1nc2cc(N)ccc2n1CC(CC)(CC)CO
InChIInChI=1S/C16H25N3O/c1-4-15-18-13-9-12(17)7-8-14(13)19(15)10-16(5-2,6-3)11-20/h7-9,20H,4-6,10-11,17H2,1-3H3
InChIKeyGPBXZPIYDAFODK-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol (CID 106254051) is 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol is CCc1nc2cc(N)ccc2n1CC(CC)(CC)CO.
What is the InChIKey of 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol?
The InChIKey is GPBXZPIYDAFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-15-18-13-9-12(17)7-8-14(13)19(15)10-16(5-2,6-3)11-20/h7-9,20H,4-6,10-11,17H2,1-3H3.
What are the key properties of 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol?
2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106254051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).