1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine

C18H26N4 — CID 58063893

IUPAC1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)nc1n2CCN(C2CCC2)CC1
InChIInChI=1S/C18H26N4/c1-20(2)13-14-6-7-17-16(12-14)19-18-8-9-21(10-11-22(17)18)15-4-3-5-15/h6-7,12,15H,3-5,8-11,13H2,1-2H3
InChIKeyHIHHWEGZNYPYDT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.51
Rot. Bonds3

About 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine

1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine (PubChem CID 58063893) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine
PubChem CID58063893
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc2c(c1)nc1n2CCN(C2CCC2)CC1
InChIInChI=1S/C18H26N4/c1-20(2)13-14-6-7-17-16(12-14)19-18-8-9-21(10-11-22(17)18)15-4-3-5-15/h6-7,12,15H,3-5,8-11,13H2,1-2H3
InChIKeyHIHHWEGZNYPYDT-UHFFFAOYSA-N
XLogP2.51
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-8-(4-cyclobutylpiperazin-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063723
3-cyclobutyl-N-[(4-methylphenyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-amine
CID 58063772
3-cyclobutyl-8-phenyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063789
3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole-8-carbonitrile
CID 58063984
3-cyclobutyl-8-(4-methylimidazol-1-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 46871613
3-cyclobutyl-8-(2-methylpyrimidin-5-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 58063862
N-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N'-ethyl-N-methyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 70865749
3-cyclobutyl-8-[(6-methoxy-1,2-dihydropyrimidin-2-yl)oxymethyl]-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 163930769
3-cyclobutyl-8-(3,7-dimethyl-5,6-dihydro-1,2,4-triazepin-4-yl)-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 90704188
3-cyclobutyl-10-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,4,5,6-tetrahydro-1H-[1,5]diazocino[1,2-a]benzimidazole
CID 51002040
3-cyclobutyl-8-pyridin-2-yl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 56644753
N-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)phenyl]acetamide
CID 58064005

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine (CID 58063893) is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine is CN(C)Cc1ccc2c(c1)nc1n2CCN(C2CCC2)CC1.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine?
The InChIKey is HIHHWEGZNYPYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-20(2)13-14-6-7-17-16(12-14)19-18-8-9-21(10-11-22(17)18)15-4-3-5-15/h6-7,12,15H,3-5,8-11,13H2,1-2H3.
What are the key properties of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine?
1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine has a molecular weight of 298.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazol-8-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 58063893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).