6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol

C14H21N3O — CID 107849624

IUPAC6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
SMILESCc1nc2cc(N)ccc2n1CCCCCCO
InChIInChI=1S/C14H21N3O/c1-11-16-13-10-12(15)6-7-14(13)17(11)8-4-2-3-5-9-18/h6-7,10,18H,2-5,8-9,15H2,1H3
InChIKeyWETWNCRPLUCKMA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds6

About 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol

6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol (PubChem CID 107849624) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
PubChem CID107849624
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
SMILESCc1nc2cc(N)ccc2n1CCCCCCO
InChIInChI=1S/C14H21N3O/c1-11-16-13-10-12(15)6-7-14(13)17(11)8-4-2-3-5-9-18/h6-7,10,18H,2-5,8-9,15H2,1H3
InChIKeyWETWNCRPLUCKMA-UHFFFAOYSA-N
XLogP2.48
TPSA64.07 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(5-amino-2-methylbenzimidazol-1-yl)ethylsulfanyl]propan-1-ol
CID 106305112
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
CID 43912232
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
CID 106248081
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 62506711
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol (CID 107849624) is 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol is Cc1nc2cc(N)ccc2n1CCCCCCO.
What is the InChIKey of 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol?
The InChIKey is WETWNCRPLUCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-16-13-10-12(15)6-7-14(13)17(11)8-4-2-3-5-9-18/h6-7,10,18H,2-5,8-9,15H2,1H3.
What are the key properties of 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol?
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol is sourced from PubChem (CID 107849624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).