(1-hexyl-5-methylbenzimidazol-2-yl)methanol

C15H22N2O — CID 82333270

IUPAC(1-hexyl-5-methylbenzimidazol-2-yl)methanol
SMILESCCCCCCn1c(CO)nc2cc(C)ccc21
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-9-17-14-8-7-12(2)10-13(14)16-15(17)11-18/h7-8,10,18H,3-6,9,11H2,1-2H3
InChIKeyJMDAARALAOBFPG-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.42
Rot. Bonds6

About (1-hexyl-5-methylbenzimidazol-2-yl)methanol

(1-hexyl-5-methylbenzimidazol-2-yl)methanol (PubChem CID 82333270) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1-hexyl-5-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-hexyl-5-methylbenzimidazol-2-yl)methanol
PubChem CID82333270
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1-hexyl-5-methylbenzimidazol-2-yl)methanol
SMILESCCCCCCn1c(CO)nc2cc(C)ccc21
InChIInChI=1S/C15H22N2O/c1-3-4-5-6-9-17-14-8-7-12(2)10-13(14)16-15(17)11-18/h7-8,10,18H,3-6,9,11H2,1-2H3
InChIKeyJMDAARALAOBFPG-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
CID 82333345
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
5-chloro-2-(chloromethyl)-1-octylbenzimidazole
CID 115569202
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503

Frequently Asked Questions

What is the IUPAC name of (1-hexyl-5-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (1-hexyl-5-methylbenzimidazol-2-yl)methanol (CID 82333270) is (1-hexyl-5-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (1-hexyl-5-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (1-hexyl-5-methylbenzimidazol-2-yl)methanol is CCCCCCn1c(CO)nc2cc(C)ccc21.
What is the InChIKey of (1-hexyl-5-methylbenzimidazol-2-yl)methanol?
The InChIKey is JMDAARALAOBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-6-9-17-14-8-7-12(2)10-13(14)16-15(17)11-18/h7-8,10,18H,3-6,9,11H2,1-2H3.
What are the key properties of (1-hexyl-5-methylbenzimidazol-2-yl)methanol?
(1-hexyl-5-methylbenzimidazol-2-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexyl-5-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 82333270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).