5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol

C14H21N3O — CID 107203489

IUPAC5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-16(10-6-3-7-11-18)14-15-12-8-4-5-9-13(12)17(14)2/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3
InChIKeyIYUJQGZIAKSDTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds6

About 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol

5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol (PubChem CID 107203489) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
PubChem CID107203489
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
SMILESCN(CCCCCO)c1nc2ccccc2n1C
InChIInChI=1S/C14H21N3O/c1-16(10-6-3-7-11-18)14-15-12-8-4-5-9-13(12)17(14)2/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3
InChIKeyIYUJQGZIAKSDTR-UHFFFAOYSA-N
XLogP2.17
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
N,1-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzimidazol-2-amine
CID 115144025
2-[(1-methylbenzimidazol-2-yl)-prop-2-enylamino]ethanol
CID 113341922
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
CID 107203344
N-(cyclohexylmethyl)-N,1-dimethylbenzimidazol-2-amine
CID 115144037
N-[(3-methoxyphenyl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 171329079
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The IUPAC name of 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol (CID 107203489) is 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol is CN(CCCCCO)c1nc2ccccc2n1C.
What is the InChIKey of 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The InChIKey is IYUJQGZIAKSDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(10-6-3-7-11-18)14-15-12-8-4-5-9-13(12)17(14)2/h4-5,8-9,18H,3,6-7,10-11H2,1-2H3.
What are the key properties of 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(1-methylbenzimidazol-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 107203489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).