N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine

C19H19Cl2N5 — CID 70307845

IUPACN-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc2ccccc2[nH]1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C19H19Cl2N5/c1-26(18-11-13-14(21)9-12(20)10-17(13)23-18)8-4-7-22-19-24-15-5-2-3-6-16(15)25-19/h2-3,5-6,9-11,23H,4,7-8H2,1H3,(H2,22,24,25)
InChIKeyGYYPLDAMUSELQO-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.29
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine

N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 70307845) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID70307845
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC NameN-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1nc2ccccc2[nH]1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C19H19Cl2N5/c1-26(18-11-13-14(21)9-12(20)10-17(13)23-18)8-4-7-22-19-24-15-5-2-3-6-16(15)25-19/h2-3,5-6,9-11,23H,4,7-8H2,1H3,(H2,22,24,25)
InChIKeyGYYPLDAMUSELQO-UHFFFAOYSA-N
XLogP5.29
TPSA59.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine (CID 70307845) is N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCNc1nc2ccccc2[nH]1)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is GYYPLDAMUSELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c1-26(18-11-13-14(21)9-12(20)10-17(13)23-18)8-4-7-22-19-24-15-5-2-3-6-16(15)25-19/h2-3,5-6,9-11,23H,4,7-8H2,1H3,(H2,22,24,25).
What are the key properties of N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine?
N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 388.30 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-N'-(4,6-dichloro-1H-indol-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 70307845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).