1-benzhydryl-6-chloroindole

C21H16ClN — CID 11580537

IUPAC1-benzhydryl-6-chloroindole
SMILESClc1ccc2ccn(C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C21H16ClN/c22-19-12-11-16-13-14-23(20(16)15-19)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,21H
InChIKeyWTICGQACUZDQCI-UHFFFAOYSA-N
MW317.82 g/mol
LogP5.93
Rot. Bonds3

About 1-benzhydryl-6-chloroindole

1-benzhydryl-6-chloroindole (PubChem CID 11580537) has the molecular formula C21H16ClN and a molecular weight of 317.82 g/mol. Its IUPAC name is 1-benzhydryl-6-chloroindole.

Molecular Properties

Compound Name1-benzhydryl-6-chloroindole
PubChem CID11580537
Molecular FormulaC21H16ClN
Molecular Weight317.82 g/mol
Exact Mass317.10
IUPAC Name1-benzhydryl-6-chloroindole
SMILESClc1ccc2ccn(C(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C21H16ClN/c22-19-12-11-16-13-14-23(20(16)15-19)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,21H
InChIKeyWTICGQACUZDQCI-UHFFFAOYSA-N
XLogP5.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzhydryl-6-chloroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-(2-chlorophenyl)indole
CID 22049239
5-chloro-1-[oxiran-2-yl(phenyl)methyl]indole
CID 87617850
N-[2-(6-chloroindol-1-yl)propyl]-2-methylpropan-1-amine
CID 113229466
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
1-(1-benzhydrylindol-5-yl)ethanone
CID 10087707
2-(6-chloroindol-1-yl)-N-prop-2-enylpropan-1-amine
CID 113229465
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
(E)-3-[1-[bis(4-chlorophenyl)methyl]indol-5-yl]but-2-enoic acid
CID 10433143
(2S)-1-(6-chloroindol-1-yl)propan-2-ol
CID 70160052
3-indol-1-yl-3-phenylpropan-1-amine
CID 58088429
4-[(1-benzhydryl-6-chloroindol-3-yl)methyl]-3-hydroxybenzoic acid
CID 18373346
[3-(5-chloroindol-1-yl)-2-hydroxy-3-phenylpropyl] 4-methylbenzenesulfonate
CID 141126968

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-6-chloroindole?
The IUPAC name of 1-benzhydryl-6-chloroindole (CID 11580537) is 1-benzhydryl-6-chloroindole.
What is the SMILES notation for 1-benzhydryl-6-chloroindole?
The canonical SMILES for 1-benzhydryl-6-chloroindole is Clc1ccc2ccn(C(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 1-benzhydryl-6-chloroindole?
The InChIKey is WTICGQACUZDQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN/c22-19-12-11-16-13-14-23(20(16)15-19)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,21H.
What are the key properties of 1-benzhydryl-6-chloroindole?
1-benzhydryl-6-chloroindole has a molecular weight of 317.82 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-6-chloroindole is sourced from PubChem (CID 11580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).