2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol

C17H27N3O — CID 111449398

IUPAC2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-13(2)9-10-17(3,21)12-18-11-16-19-14-7-5-6-8-15(14)20(16)4/h5-8,13,18,21H,9-12H2,1-4H3
InChIKeyYPOWCGKTOFRBQA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds7

About 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol

2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol (PubChem CID 111449398) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol
PubChem CID111449398
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-13(2)9-10-17(3,21)12-18-11-16-19-14-7-5-6-8-15(14)20(16)4/h5-8,13,18,21H,9-12H2,1-4H3
InChIKeyYPOWCGKTOFRBQA-UHFFFAOYSA-N
XLogP2.85
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol
CID 103845498
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172801

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol (CID 111449398) is 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol is CC(C)CCC(C)(O)CNCc1nc2ccccc2n1C.
What is the InChIKey of 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol?
The InChIKey is YPOWCGKTOFRBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)9-10-17(3,21)12-18-11-16-19-14-7-5-6-8-15(14)20(16)4/h5-8,13,18,21H,9-12H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol?
2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1-methylbenzimidazol-2-yl)methylamino]hexan-2-ol is sourced from PubChem (CID 111449398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).