4-[(1-ethylbenzimidazol-2-yl)methyl]phenol

C16H16N2O — CID 43142753

IUPAC4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
SMILESCCn1c(Cc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-6-4-3-5-14(15)17-16(18)11-12-7-9-13(19)10-8-12/h3-10,19H,2,11H2,1H3
InChIKeyGADZYROZNVXQAV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds3

About 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol

4-[(1-ethylbenzimidazol-2-yl)methyl]phenol (PubChem CID 43142753) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
PubChem CID43142753
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
SMILESCCn1c(Cc2ccc(O)cc2)nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-2-18-15-6-4-3-5-14(15)17-16(18)11-12-7-9-13(19)10-8-12/h3-10,19H,2,11H2,1H3
InChIKeyGADZYROZNVXQAV-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylbenzimidazol-2-yl)methyl]pyridin-3-ol
CID 83129846
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
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1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 62535348
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
2-[(1-ethylbenzimidazol-2-yl)methyl]-6-methoxyphenol
CID 83128665
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
3-[(1-ethylbenzimidazol-2-yl)methyl]furan-2-carbaldehyde
CID 106886542

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol (CID 43142753) is 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol is CCn1c(Cc2ccc(O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is GADZYROZNVXQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-18-15-6-4-3-5-14(15)17-16(18)11-12-7-9-13(19)10-8-12/h3-10,19H,2,11H2,1H3.
What are the key properties of 4-[(1-ethylbenzimidazol-2-yl)methyl]phenol?
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 252.32 g/mol, XLogP of 3.35, 3 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)methyl]phenol is sourced from PubChem (CID 43142753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).