4-(1-ethylbenzimidazol-2-yl)-3-methylphenol

C16H16N2O — CID 136750847

IUPAC4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
SMILESCCn1c(-c2ccc(O)cc2C)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-3-18-15-7-5-4-6-14(15)17-16(18)13-9-8-12(19)10-11(13)2/h4-10,19H,3H2,1-2H3
InChIKeyMYXRREHSURUTEJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.74
Rot. Bonds2

About 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol

4-(1-ethylbenzimidazol-2-yl)-3-methylphenol (PubChem CID 136750847) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
PubChem CID136750847
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
SMILESCCn1c(-c2ccc(O)cc2C)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-3-18-15-7-5-4-6-14(15)17-16(18)13-9-8-12(19)10-11(13)2/h4-10,19H,3H2,1-2H3
InChIKeyMYXRREHSURUTEJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136750904
2-(1-ethylbenzimidazol-2-yl)-N-methylaniline
CID 43142634
3-methyl-4-(3-propylimidazo[4,5-b]pyridin-2-yl)phenol
CID 136750908
1-ethyl-2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]benzimidazole
CID 167413067
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
CID 16987511
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
2-(5-bromo-1-ethylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903750
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
5-chloro-2-(6-chloro-1-ethylbenzimidazol-2-yl)phenol
CID 136968059

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol (CID 136750847) is 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol is CCn1c(-c2ccc(O)cc2C)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol?
The InChIKey is MYXRREHSURUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-18-15-7-5-4-6-14(15)17-16(18)13-9-8-12(19)10-11(13)2/h4-10,19H,3H2,1-2H3.
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol?
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol has a molecular weight of 252.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-3-methylphenol is sourced from PubChem (CID 136750847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).