1-(3,3-dimethylbutyl)-2-ethylbenzimidazole

C15H22N2 — CID 115582370

IUPAC1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCC(C)(C)C
InChIInChI=1S/C15H22N2/c1-5-14-16-12-8-6-7-9-13(12)17(14)11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyNPNJPPBLKJWYDE-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.03
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole

1-(3,3-dimethylbutyl)-2-ethylbenzimidazole (PubChem CID 115582370) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
PubChem CID115582370
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCC(C)(C)C
InChIInChI=1S/C15H22N2/c1-5-14-16-12-8-6-7-9-13(12)17(14)11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyNPNJPPBLKJWYDE-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
4-(2-ethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252513
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
6-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63107297

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole (CID 115582370) is 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole?
The InChIKey is NPNJPPBLKJWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-14-16-12-8-6-7-9-13(12)17(14)11-10-15(2,3)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole?
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole has a molecular weight of 230.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2-ethylbenzimidazole is sourced from PubChem (CID 115582370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).