4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol

C17H27N3O — CID 103910844

IUPAC4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-12(18-11-13(21)10-17(2,3)4)16-19-14-8-6-7-9-15(14)20(16)5/h6-9,12-13,18,21H,10-11H2,1-5H3
InChIKeyISQKEMRMUDDMFG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.02
Rot. Bonds5

About 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol

4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol (PubChem CID 103910844) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
PubChem CID103910844
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol
SMILESCC(NCC(O)CC(C)(C)C)c1nc2ccccc2n1C
InChIInChI=1S/C17H27N3O/c1-12(18-11-13(21)10-17(2,3)4)16-19-14-8-6-7-9-15(14)20(16)5/h6-9,12-13,18,21H,10-11H2,1-5H3
InChIKeyISQKEMRMUDDMFG-UHFFFAOYSA-N
XLogP3.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N,2,2-trimethyl-3-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 103917265
tert-butyl 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]acetate
CID 81455314
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylbutan-1-amine
CID 103911042
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol (CID 103910844) is 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol is CC(NCC(O)CC(C)(C)C)c1nc2ccccc2n1C.
What is the InChIKey of 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol?
The InChIKey is ISQKEMRMUDDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(18-11-13(21)10-17(2,3)4)16-19-14-8-6-7-9-15(14)20(16)5/h6-9,12-13,18,21H,10-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol?
4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol has a molecular weight of 289.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103910844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).