3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol

C17H15BrN2O — CID 82809543

IUPAC3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C17H15BrN2O/c1-10-13(3-2-4-16(10)21)17-19-14-9-11(18)5-8-15(14)20(17)12-6-7-12/h2-5,8-9,12,21H,6-7H2,1H3
InChIKeySTVRFJOQIKKEMW-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.81
Rot. Bonds2

About 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol

3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol (PubChem CID 82809543) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
PubChem CID82809543
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C17H15BrN2O/c1-10-13(3-2-4-16(10)21)17-19-14-9-11(18)5-8-15(14)20(17)12-6-7-12/h2-5,8-9,12,21H,6-7H2,1H3
InChIKeySTVRFJOQIKKEMW-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 136751399
5-bromo-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 63494896
2-amino-5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenol
CID 60837055
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
4-bromo-2-(1-cyclopropyl-5-methylbenzimidazol-2-yl)aniline
CID 62073991
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)phenyl]methanamine
CID 60783970
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
CID 43660199
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
1-[4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66380198

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol (CID 82809543) is 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol is Cc1c(O)cccc1-c1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol?
The InChIKey is STVRFJOQIKKEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-10-13(3-2-4-16(10)21)17-19-14-9-11(18)5-8-15(14)20(17)12-6-7-12/h2-5,8-9,12,21H,6-7H2,1H3.
What are the key properties of 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol?
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol has a molecular weight of 343.22 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 82809543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).