(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone

C20H12Cl2N4O — CID 118899470

IUPAC(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3cc(Cl)ccc23)[nH]1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H12Cl2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyCKUFAZCPDNBKLE-UHFFFAOYSA-N
MW395.25 g/mol
LogP5.58
Rot. Bonds3

About (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone

(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (PubChem CID 118899470) has the molecular formula C20H12Cl2N4O and a molecular weight of 395.25 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
PubChem CID118899470
Molecular FormulaC20H12Cl2N4O
Molecular Weight395.25 g/mol
Exact Mass394.04
IUPAC Name(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3cc(Cl)ccc23)[nH]1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H12Cl2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyCKUFAZCPDNBKLE-UHFFFAOYSA-N
XLogP5.58
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.25
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (CID 118899470) is (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is O=C(c1ncc(-c2c[nH]c3cc(Cl)ccc23)[nH]1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The InChIKey is CKUFAZCPDNBKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26).
What are the key properties of (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
(6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone has a molecular weight of 395.25 g/mol, XLogP of 5.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-[5-(6-chloro-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 118899470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).