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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Related Compounds

2-ethyl-1-(2-methyl-2-methylsulfonylpropyl)benzimidazol-5-amine
CID 79550091
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
[1-[(5-amino-2-ethylbenzimidazol-1-yl)methyl]cyclopentyl]methanol
CID 115363212
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-5-amine
CID 106408016
2-ethyl-1-(thiophen-3-ylmethyl)benzimidazol-5-amine
CID 55175058

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).