1-(1,4-diazepan-1-yl)benzimidazole

C12H16N4 — CID 57095230

IUPAC1-(1,4-diazepan-1-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2N1CCCNCC1
InChIInChI=1S/C12H16N4/c1-2-5-12-11(4-1)14-10-16(12)15-8-3-6-13-7-9-15/h1-2,4-5,10,13H,3,6-9H2
InChIKeyYAIZOJVSOXUWPT-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.97
Rot. Bonds1

About 1-(1,4-diazepan-1-yl)benzimidazole

1-(1,4-diazepan-1-yl)benzimidazole (PubChem CID 57095230) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)benzimidazole.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)benzimidazole
PubChem CID57095230
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(1,4-diazepan-1-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2N1CCCNCC1
InChIInChI=1S/C12H16N4/c1-2-5-12-11(4-1)14-10-16(12)15-8-3-6-13-7-9-15/h1-2,4-5,10,13H,3,6-9H2
InChIKeyYAIZOJVSOXUWPT-UHFFFAOYSA-N
XLogP0.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylbenzimidazole;pyrrolidine
CID 174527283
1-methylbenzimidazole;morpholine
CID 178060017
1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
CID 139891496
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 57210584
4-(1,4-diazepan-1-yl)quinoline
CID 61339543
CID 172839062
CID 172839062
benzimidazole-1-sulfinate
CID 56998741
1-morpholin-2-ylquinoxalin-2-one
CID 174769347
1-(4-methylidene-1-pyridinyl)benzimidazole
CID 23534275
2-methyl-1-piperazin-1-ylsulfonylbenzimidazole
CID 84760725

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)benzimidazole?
The IUPAC name of 1-(1,4-diazepan-1-yl)benzimidazole (CID 57095230) is 1-(1,4-diazepan-1-yl)benzimidazole.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)benzimidazole?
The canonical SMILES for 1-(1,4-diazepan-1-yl)benzimidazole is c1ccc2c(c1)ncn2N1CCCNCC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)benzimidazole?
The InChIKey is YAIZOJVSOXUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-5-12-11(4-1)14-10-16(12)15-8-3-6-13-7-9-15/h1-2,4-5,10,13H,3,6-9H2.
What are the key properties of 1-(1,4-diazepan-1-yl)benzimidazole?
1-(1,4-diazepan-1-yl)benzimidazole has a molecular weight of 216.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)benzimidazole is sourced from PubChem (CID 57095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).