3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol

C17H17ClN2O — CID 82810464

IUPAC3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
SMILESCCCn1c(-c2cccc(O)c2C)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-3-9-20-15-8-7-12(18)10-14(15)19-17(20)13-5-4-6-16(21)11(13)2/h4-8,10,21H,3,9H2,1-2H3
InChIKeyFJGSCDYAGLNVDX-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.78
Rot. Bonds3

About 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol

3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol (PubChem CID 82810464) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
PubChem CID82810464
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol
SMILESCCCn1c(-c2cccc(O)c2C)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-3-9-20-15-8-7-12(18)10-14(15)19-17(20)13-5-4-6-16(21)11(13)2/h4-8,10,21H,3,9H2,1-2H3
InChIKeyFJGSCDYAGLNVDX-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol (CID 82810464) is 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol is CCCn1c(-c2cccc(O)c2C)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol?
The InChIKey is FJGSCDYAGLNVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-9-20-15-8-7-12(18)10-14(15)19-17(20)13-5-4-6-16(21)11(13)2/h4-8,10,21H,3,9H2,1-2H3.
What are the key properties of 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol?
3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol has a molecular weight of 300.79 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propylbenzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 82810464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).