4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol

C17H17ClN2O — CID 136750866

IUPAC4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C(C)C
InChIInChI=1S/C17H17ClN2O/c1-10(2)20-16-7-4-12(18)9-15(16)19-17(20)14-6-5-13(21)8-11(14)3/h4-10,21H,1-3H3
InChIKeyHOZMLQLGMAVZMQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.95
Rot. Bonds2

About 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol

4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol (PubChem CID 136750866) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
PubChem CID136750866
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C(C)C
InChIInChI=1S/C17H17ClN2O/c1-10(2)20-16-7-4-12(18)9-15(16)19-17(20)14-6-5-13(21)8-11(14)3/h4-10,21H,1-3H3
InChIKeyHOZMLQLGMAVZMQ-UHFFFAOYSA-N
XLogP4.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
CID 136750867
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
5-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)pyridin-3-ol
CID 63852215
3-fluoro-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136751548
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
CID 46310533
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methylaniline
CID 104698506
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614173
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 61266514

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol?
The IUPAC name of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol (CID 136750866) is 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol?
The canonical SMILES for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol is Cc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C(C)C.
What is the InChIKey of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol?
The InChIKey is HOZMLQLGMAVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10(2)20-16-7-4-12(18)9-15(16)19-17(20)14-6-5-13(21)8-11(14)3/h4-10,21H,1-3H3.
What are the key properties of 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol?
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol has a molecular weight of 300.79 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol is sourced from PubChem (CID 136750866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).