N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

C25H35N7 — CID 70865710

IUPACN'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCN(C)CCN(C)c1cnc(-c2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)cn1
InChIInChI=1S/C25H35N7/c1-4-29(2)12-13-30(3)25-18-26-22(17-27-25)19-8-9-23-21(16-19)28-24-10-11-31(14-15-32(23)24)20-6-5-7-20/h8-9,16-18,20H,4-7,10-15H2,1-3H3
InChIKeyBQNFRGRQZHXTHT-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.29
Rot. Bonds7

About N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 70865710) has the molecular formula C25H35N7 and a molecular weight of 433.60 g/mol. Its IUPAC name is N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID70865710
Molecular FormulaC25H35N7
Molecular Weight433.60 g/mol
Exact Mass433.30
IUPAC NameN'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESCCN(C)CCN(C)c1cnc(-c2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)cn1
InChIInChI=1S/C25H35N7/c1-4-29(2)12-13-30(3)25-18-26-22(17-27-25)19-8-9-23-21(16-19)28-24-10-11-31(14-15-32(23)24)20-6-5-7-20/h8-9,16-18,20H,4-7,10-15H2,1-3H3
InChIKeyBQNFRGRQZHXTHT-UHFFFAOYSA-N
XLogP3.29
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 70865710) is N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is CCN(C)CCN(C)c1cnc(-c2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)cn1.
What is the InChIKey of N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is BQNFRGRQZHXTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7/c1-4-29(2)12-13-30(3)25-18-26-22(17-27-25)19-8-9-23-21(16-19)28-24-10-11-31(14-15-32(23)24)20-6-5-7-20/h8-9,16-18,20H,4-7,10-15H2,1-3H3.
What are the key properties of N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 433.60 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)pyrazin-2-yl]-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 70865710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).