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

C14H20N2O — CID 117336784

IUPAC1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
SMILESCc1nc2cc(CC(C)O)ccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-11(4)15-13-8-12(7-10(3)17)5-6-14(13)16/h5-6,8-10,17H,7H2,1-4H3
InChIKeyQKPYEXAUSGZDLA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds3

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

1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol (PubChem CID 117336784) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
PubChem CID117336784
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
SMILESCc1nc2cc(CC(C)O)ccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-11(4)15-13-8-12(7-10(3)17)5-6-14(13)16/h5-6,8-10,17H,7H2,1-4H3
InChIKeyQKPYEXAUSGZDLA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
2-(4-methoxyphenyl)-N-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110779308
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
CID 110794782
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-4-oxobutanoic acid
CID 82502143

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol (CID 117336784) is 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol is Cc1nc2cc(CC(C)O)ccc2n1C(C)C.
What is the InChIKey of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol?
The InChIKey is QKPYEXAUSGZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-11(4)15-13-8-12(7-10(3)17)5-6-14(13)16/h5-6,8-10,17H,7H2,1-4H3.
What are the key properties of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol?
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol has a molecular weight of 232.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol is sourced from PubChem (CID 117336784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).