4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol

C15H23N3O — CID 63001916

IUPAC4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-11(2)8-12(10-19)16-9-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3
InChIKeyCLISYFMHHVGAOL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds6

About 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol

4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol (PubChem CID 63001916) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
PubChem CID63001916
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-11(2)8-12(10-19)16-9-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3
InChIKeyCLISYFMHHVGAOL-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
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
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
CID 63000965
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol (CID 63001916) is 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol is CC(C)CC(CO)NCc1nc2ccccc2n1C.
What is the InChIKey of 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol?
The InChIKey is CLISYFMHHVGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)8-12(10-19)16-9-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol?
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 63001916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).