4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol

C17H15ClN2O — CID 106502305

IUPAC4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol
SMILESCc1ccc2c(c1)nc(-c1cc(O)ccc1Cl)n2C1CC1
InChIInChI=1S/C17H15ClN2O/c1-10-2-7-16-15(8-10)19-17(20(16)11-3-4-11)13-9-12(21)5-6-14(13)18/h2,5-9,11,21H,3-4H2,1H3
InChIKeyMWDOKFKCKNURLL-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.71
Rot. Bonds2

About 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol

4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol (PubChem CID 106502305) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol
PubChem CID106502305
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol
SMILESCc1ccc2c(c1)nc(-c1cc(O)ccc1Cl)n2C1CC1
InChIInChI=1S/C17H15ClN2O/c1-10-2-7-16-15(8-10)19-17(20(16)11-3-4-11)13-9-12(21)5-6-14(13)18/h2,5-9,11,21H,3-4H2,1H3
InChIKeyMWDOKFKCKNURLL-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-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-3-methylphenol
CID 136750867
4-bromo-2-(1-cyclopropyl-5-methylbenzimidazol-2-yl)aniline
CID 62073991
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
CID 63652621
2-chloro-1-cyclobutylbenzimidazol-5-ol
CID 84788817
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diol
CID 136903824
4-(1-cyclobutyl-5-hydroxybenzimidazol-2-yl)-6-methoxy-3-methylbenzene-1,2-diol
CID 162530950
4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 62807137
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903801
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
3-chloro-4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 61399162
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol (CID 106502305) is 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol is Cc1ccc2c(c1)nc(-c1cc(O)ccc1Cl)n2C1CC1.
What is the InChIKey of 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol?
The InChIKey is MWDOKFKCKNURLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-2-7-16-15(8-10)19-17(20(16)11-3-4-11)13-9-12(21)5-6-14(13)18/h2,5-9,11,21H,3-4H2,1H3.
What are the key properties of 4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol?
4-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol 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-chloro-3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 106502305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).