1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol

C16H24N2O — CID 115400992

IUPAC1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
SMILESCCn1c(CC(C)(O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-6-18-13-10-8-7-9-12(13)17-14(18)11-16(5,19)15(2,3)4/h7-10,19H,6,11H2,1-5H3
InChIKeyUUSFLBQHTCDYOV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.40
Rot. Bonds3

About 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol

1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol (PubChem CID 115400992) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
PubChem CID115400992
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
SMILESCCn1c(CC(C)(O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-6-18-13-10-8-7-9-12(13)17-14(18)11-16(5,19)15(2,3)4/h7-10,19H,6,11H2,1-5H3
InChIKeyUUSFLBQHTCDYOV-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
1-ethyl-2-pentylbenzimidazole
CID 3463966

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol (CID 115400992) is 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol is CCn1c(CC(C)(O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol?
The InChIKey is UUSFLBQHTCDYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-18-13-10-8-7-9-12(13)17-14(18)11-16(5,19)15(2,3)4/h7-10,19H,6,11H2,1-5H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol?
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 115400992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).