4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol

C17H15ClN2O — CID 136750867

IUPAC4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C17H15ClN2O/c1-10-8-13(21)5-6-14(10)17-19-15-9-11(18)2-7-16(15)20(17)12-3-4-12/h2,5-9,12,21H,3-4H2,1H3
InChIKeyXBAZYXGLULDHIN-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.71
Rot. Bonds2

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

4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol (PubChem CID 136750867) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
PubChem CID136750867
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C1CC1
InChIInChI=1S/C17H15ClN2O/c1-10-8-13(21)5-6-14(10)17-19-15-9-11(18)2-7-16(15)20(17)12-3-4-12/h2,5-9,12,21H,3-4H2,1H3
InChIKeyXBAZYXGLULDHIN-UHFFFAOYSA-N
XLogP4.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol
CID 106502305
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylphenol
CID 136750866
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diol
CID 136903824
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
CID 63261925
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
2-chloro-1-cyclobutylbenzimidazol-5-ol
CID 84788817
4-(1-cyclobutyl-5-hydroxybenzimidazol-2-yl)-6-methoxy-3-methylbenzene-1,2-diol
CID 162530950
ethyl 2-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylpropanoate
CID 79482795
[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66379118

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol?
The IUPAC name of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol (CID 136750867) is 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol?
The canonical SMILES for 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol is Cc1cc(O)ccc1-c1nc2cc(Cl)ccc2n1C1CC1.
What is the InChIKey of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol?
The InChIKey is XBAZYXGLULDHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-8-13(21)5-6-14(10)17-19-15-9-11(18)2-7-16(15)20(17)12-3-4-12/h2,5-9,12,21H,3-4H2,1H3.
What are the key properties of 4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol?
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol has a molecular weight of 298.77 g/mol, XLogP of 4.71, 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-cyclopropylbenzimidazol-2-yl)-3-methylphenol is sourced from PubChem (CID 136750867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).