5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol

C16H16N2O2 — CID 107704465

IUPAC5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCCCn1c(-c2cc(O)cc(O)c2)nc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-2-7-18-15-6-4-3-5-14(15)17-16(18)11-8-12(19)10-13(20)9-11/h3-6,8-10,19-20H,2,7H2,1H3
InChIKeyBSHUOGIFAAGUOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.52
Rot. Bonds3

About 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol

5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol (PubChem CID 107704465) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
PubChem CID107704465
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
SMILESCCCn1c(-c2cc(O)cc(O)c2)nc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-2-7-18-15-6-4-3-5-14(15)17-16(18)11-8-12(19)10-13(20)9-11/h3-6,8-10,19-20H,2,7H2,1H3
InChIKeyBSHUOGIFAAGUOI-UHFFFAOYSA-N
XLogP3.52
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-phenyl-3-(1-propylbenzimidazol-2-yl)quinoxaline
CID 4527430
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
5-(1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
CID 136577815
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-(2,4-dichlorophenyl)-1-propylbenzimidazole
CID 16987669
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726

Frequently Asked Questions

What is the IUPAC name of 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol (CID 107704465) is 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol is CCCn1c(-c2cc(O)cc(O)c2)nc2ccccc21.
What is the InChIKey of 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol?
The InChIKey is BSHUOGIFAAGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-7-18-15-6-4-3-5-14(15)17-16(18)11-8-12(19)10-13(20)9-11/h3-6,8-10,19-20H,2,7H2,1H3.
What are the key properties of 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol?
5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol has a molecular weight of 268.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 107704465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).