4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol

C18H14ClN3O — CID 139885647

IUPAC4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol
SMILESCn1ccnc1-c1[nH]c2ccc(Cl)cc2c1-c1ccc(O)cc1
InChIInChI=1S/C18H14ClN3O/c1-22-9-8-20-18(22)17-16(11-2-5-13(23)6-3-11)14-10-12(19)4-7-15(14)21-17/h2-10,21,23H,1H3
InChIKeyFTVVTEQIQQBCGP-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.59
Rot. Bonds2

About 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol

4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol (PubChem CID 139885647) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol
PubChem CID139885647
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol
SMILESCn1ccnc1-c1[nH]c2ccc(Cl)cc2c1-c1ccc(O)cc1
InChIInChI=1S/C18H14ClN3O/c1-22-9-8-20-18(22)17-16(11-2-5-13(23)6-3-11)14-10-12(19)4-7-15(14)21-17/h2-10,21,23H,1H3
InChIKeyFTVVTEQIQQBCGP-UHFFFAOYSA-N
XLogP4.59
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol?
The IUPAC name of 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol (CID 139885647) is 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol.
What is the SMILES notation for 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol?
The canonical SMILES for 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol is Cn1ccnc1-c1[nH]c2ccc(Cl)cc2c1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol?
The InChIKey is FTVVTEQIQQBCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-22-9-8-20-18(22)17-16(11-2-5-13(23)6-3-11)14-10-12(19)4-7-15(14)21-17/h2-10,21,23H,1H3.
What are the key properties of 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol?
4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol has a molecular weight of 323.78 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(1-methylimidazol-2-yl)-1H-indol-3-yl]phenol is sourced from PubChem (CID 139885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).