3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol

C13H18N2O — CID 79753505

IUPAC3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
SMILESCC(C)C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O/c1-9(2)12(16)8-13-14-10-6-4-5-7-11(10)15(13)3/h4-7,9,12,16H,8H2,1-3H3
InChIKeyUUEMOJBEVSRSJD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.13
Rot. Bonds3

About 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol (PubChem CID 79753505) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
PubChem CID79753505
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
SMILESCC(C)C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C13H18N2O/c1-9(2)12(16)8-13-14-10-6-4-5-7-11(10)15(13)3/h4-7,9,12,16H,8H2,1-3H3
InChIKeyUUEMOJBEVSRSJD-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol (CID 79753505) is 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol is CC(C)C(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
The InChIKey is UUEMOJBEVSRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)12(16)8-13-14-10-6-4-5-7-11(10)15(13)3/h4-7,9,12,16H,8H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol?
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 79753505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).