3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol

C16H15ClN2O — CID 61400301

IUPAC3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol
SMILESCCn1c(Cc2cccc(O)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c1-2-19-15(10-11-5-3-6-12(20)9-11)18-14-8-4-7-13(17)16(14)19/h3-9,20H,2,10H2,1H3
InChIKeyFLEXZPYGZYUGOD-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.01
Rot. Bonds3

About 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol

3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol (PubChem CID 61400301) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol
PubChem CID61400301
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol
SMILESCCn1c(Cc2cccc(O)c2)nc2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c1-2-19-15(10-11-5-3-6-12(20)9-11)18-14-8-4-7-13(17)16(14)19/h3-9,20H,2,10H2,1H3
InChIKeyFLEXZPYGZYUGOD-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol (CID 61400301) is 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol is CCn1c(Cc2cccc(O)c2)nc2cccc(Cl)c21.
What is the InChIKey of 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is FLEXZPYGZYUGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-19-15(10-11-5-3-6-12(20)9-11)18-14-8-4-7-13(17)16(14)19/h3-9,20H,2,10H2,1H3.
What are the key properties of 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol?
3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 286.76 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 61400301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).