2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol

C15H23N3O — CID 111750436

IUPAC2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol
SMILESCc1nc2ccccc2n1CCN(C)CC(C)(C)O
InChIInChI=1S/C15H23N3O/c1-12-16-13-7-5-6-8-14(13)18(12)10-9-17(4)11-15(2,3)19/h5-8,19H,9-11H2,1-4H3
InChIKeyWTGFWIAWFGVGFH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol

2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol (PubChem CID 111750436) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol
PubChem CID111750436
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol
SMILESCc1nc2ccccc2n1CCN(C)CC(C)(C)O
InChIInChI=1S/C15H23N3O/c1-12-16-13-7-5-6-8-14(13)18(12)10-9-17(4)11-15(2,3)19/h5-8,19H,9-11H2,1-4H3
InChIKeyWTGFWIAWFGVGFH-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
CID 64994591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol (CID 111750436) is 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol is Cc1nc2ccccc2n1CCN(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol?
The InChIKey is WTGFWIAWFGVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-16-13-7-5-6-8-14(13)18(12)10-9-17(4)11-15(2,3)19/h5-8,19H,9-11H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 111750436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).