N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine

C25H35Cl2N5 — CID 18621430

IUPACN'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C25H35Cl2N5/c1-5-30(6-2)13-15-32(16-14-31(7-3)8-4)24-12-10-9-11-19(24)25-28-22-17-20(26)21(27)18-23(22)29-25/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,29)
InChIKeyOPDNPIBISCQPBC-UHFFFAOYSA-N
MW476.50 g/mol
LogP6.03
Rot. Bonds12

About N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine

N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine (PubChem CID 18621430) has the molecular formula C25H35Cl2N5 and a molecular weight of 476.50 g/mol. Its IUPAC name is N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
PubChem CID18621430
Molecular FormulaC25H35Cl2N5
Molecular Weight476.50 g/mol
Exact Mass475.23
IUPAC NameN'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C25H35Cl2N5/c1-5-30(6-2)13-15-32(16-14-31(7-3)8-4)24-12-10-9-11-19(24)25-28-22-17-20(26)21(27)18-23(22)29-25/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,29)
InChIKeyOPDNPIBISCQPBC-UHFFFAOYSA-N
XLogP6.03
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine?
The IUPAC name of N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine (CID 18621430) is N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine is CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine?
The InChIKey is OPDNPIBISCQPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35Cl2N5/c1-5-30(6-2)13-15-32(16-14-31(7-3)8-4)24-12-10-9-11-19(24)25-28-22-17-20(26)21(27)18-23(22)29-25/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,29).
What are the key properties of N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine?
N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine has a molecular weight of 476.50 g/mol, XLogP of 6.03, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 18621430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).