4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol

C21H14ClN3O — CID 45258430

IUPAC4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
SMILESOc1ccc(-n2c(-c3ccc(Cl)cc3)nc3c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H14ClN3O/c22-14-7-5-13(6-8-14)20-24-19-17-3-1-2-4-18(17)23-21(19)25(20)15-9-11-16(26)12-10-15/h1-12,23,26H
InChIKeyQHQFJGRPCYXQDL-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.53
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol

4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol (PubChem CID 45258430) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
PubChem CID45258430
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol
SMILESOc1ccc(-n2c(-c3ccc(Cl)cc3)nc3c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H14ClN3O/c22-14-7-5-13(6-8-14)20-24-19-17-3-1-2-4-18(17)23-21(19)25(20)15-9-11-16(26)12-10-15/h1-12,23,26H
InChIKeyQHQFJGRPCYXQDL-UHFFFAOYSA-N
XLogP5.53
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
4-[2-(4-methoxyphenyl)-4H-imidazo[4,5-b]indol-3-yl]benzenesulfonamide
CID 45258128
4-[2-amino-6-[2-(4-chlorophenyl)-1H-indol-3-yl]pyrimidin-4-yl]phenol
CID 154926505
2-(4-chlorophenyl)-1-phenylnaphtho[2,1-e]benzimidazole
CID 138374073
3,4-bis(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
CID 789064
1-(4-chlorophenyl)-4H-pyrazolo[4,5-b]indole
CID 136862213
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
CID 3991552
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
3-(4-chlorophenyl)-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135577952
1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 6435974
4-[2-(4-aminophenyl)benzimidazol-1-yl]phenol
CID 132528735

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol (CID 45258430) is 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol is Oc1ccc(-n2c(-c3ccc(Cl)cc3)nc3c4ccccc4[nH]c32)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol?
The InChIKey is QHQFJGRPCYXQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-14-7-5-13(6-8-14)20-24-19-17-3-1-2-4-18(17)23-21(19)25(20)15-9-11-16(26)12-10-15/h1-12,23,26H.
What are the key properties of 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol?
4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol has a molecular weight of 359.82 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4H-imidazo[4,5-b]indol-3-yl]phenol is sourced from PubChem (CID 45258430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).