2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol

C14H20N2O — CID 117336833

IUPAC2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
SMILESCC(C)n1cnc2cc(C(C)(C)CO)ccc21
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-15-12-7-11(5-6-13(12)16)14(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3
InChIKeyWZPHZOOLECKQFF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol

2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol (PubChem CID 117336833) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
PubChem CID117336833
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol
SMILESCC(C)n1cnc2cc(C(C)(C)CO)ccc21
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-15-12-7-11(5-6-13(12)16)14(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3
InChIKeyWZPHZOOLECKQFF-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
CID 176701943
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
2-(5-tert-butylbenzimidazol-1-yl)ethanol
CID 176701659
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
4-amino-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 117407600
N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
CID 6459986
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
CID 82497436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol (CID 117336833) is 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol is CC(C)n1cnc2cc(C(C)(C)CO)ccc21.
What is the InChIKey of 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol?
The InChIKey is WZPHZOOLECKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-9-15-12-7-11(5-6-13(12)16)14(3,4)8-17/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol?
2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-propan-2-ylbenzimidazol-5-yl)propan-1-ol is sourced from PubChem (CID 117336833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).