N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine

C19H19Cl2N5 — CID 44534162

IUPACN'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine
SMILESClc1ccc2c(Cl)c(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1
InChIInChI=1S/C19H19Cl2N5/c20-12-6-7-13-16(10-12)24-17(18(13)21)11-22-8-3-9-23-19-25-14-4-1-2-5-15(14)26-19/h1-2,4-7,10,22,24H,3,8-9,11H2,(H2,23,25,26)
InChIKeyINMZCVSBKBBCRM-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.94
Rot. Bonds7

About N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine

N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine (PubChem CID 44534162) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine
PubChem CID44534162
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC NameN'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine
SMILESClc1ccc2c(Cl)c(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1
InChIInChI=1S/C19H19Cl2N5/c20-12-6-7-13-16(10-12)24-17(18(13)21)11-22-8-3-9-23-19-25-14-4-1-2-5-15(14)26-19/h1-2,4-7,10,22,24H,3,8-9,11H2,(H2,23,25,26)
InChIKeyINMZCVSBKBBCRM-UHFFFAOYSA-N
XLogP4.94
TPSA68.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine 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 N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine (CID 44534162) is N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine is Clc1ccc2c(Cl)c(CNCCCNc3nc4ccccc4[nH]3)[nH]c2c1.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is INMZCVSBKBBCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c20-12-6-7-13-16(10-12)24-17(18(13)21)11-22-8-3-9-23-19-25-14-4-1-2-5-15(14)26-19/h1-2,4-7,10,22,24H,3,8-9,11H2,(H2,23,25,26).
What are the key properties of N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine?
N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 388.30 g/mol, XLogP of 4.94, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)-N-[(3,6-dichloro-1H-indol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 44534162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).