2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol

C16H25N3O — CID 64808784

IUPAC2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
SMILESCCc1nc2ccccc2n1CCCCC(C)(N)CO
InChIInChI=1S/C16H25N3O/c1-3-15-18-13-8-4-5-9-14(13)19(15)11-7-6-10-16(2,17)12-20/h4-5,8-9,20H,3,6-7,10-12,17H2,1-2H3
InChIKeyFWJRDKKFQJNRAG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.48
Rot. Bonds7

About 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol

2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol (PubChem CID 64808784) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
PubChem CID64808784
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
SMILESCCc1nc2ccccc2n1CCCCC(C)(N)CO
InChIInChI=1S/C16H25N3O/c1-3-15-18-13-8-4-5-9-14(13)19(15)11-7-6-10-16(2,17)12-20/h4-5,8-9,20H,3,6-7,10-12,17H2,1-2H3
InChIKeyFWJRDKKFQJNRAG-UHFFFAOYSA-N
XLogP2.48
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63107297
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252513
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
CID 63106730
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol (CID 64808784) is 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol is CCc1nc2ccccc2n1CCCCC(C)(N)CO.
What is the InChIKey of 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol?
The InChIKey is FWJRDKKFQJNRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-15-18-13-8-4-5-9-14(13)19(15)11-7-6-10-16(2,17)12-20/h4-5,8-9,20H,3,6-7,10-12,17H2,1-2H3.
What are the key properties of 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol?
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol has a molecular weight of 275.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 64808784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).