1-(2,2-dimethylpropyl)-2-methylbenzimidazole

C13H18N2 — CID 21060284

IUPAC1-(2,2-dimethylpropyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-14-11-7-5-6-8-12(11)15(10)9-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyUIQSMRPIHOIRHD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.39
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2-methylbenzimidazole

1-(2,2-dimethylpropyl)-2-methylbenzimidazole (PubChem CID 21060284) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-methylbenzimidazole
PubChem CID21060284
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2,2-dimethylpropyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(C)(C)C
InChIInChI=1S/C13H18N2/c1-10-14-11-7-5-6-8-12(11)15(10)9-13(2,3)4/h5-8H,9H2,1-4H3
InChIKeyUIQSMRPIHOIRHD-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
CID 64994591
1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
CID 116790662
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2,2-dimethyl-4-(2-methylbenzimidazol-1-yl)butanethioamide
CID 65248934
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-methylbenzimidazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-methylbenzimidazole (CID 21060284) is 1-(2,2-dimethylpropyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-methylbenzimidazole?
The InChIKey is UIQSMRPIHOIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-14-11-7-5-6-8-12(11)15(10)9-13(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-methylbenzimidazole?
1-(2,2-dimethylpropyl)-2-methylbenzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-methylbenzimidazole is sourced from PubChem (CID 21060284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).