1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine

C11H20N4 — CID 91455609

IUPAC1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine
SMILESNCCCC(N)C1CCCc2[nH]cnc21
InChIInChI=1S/C11H20N4/c12-6-2-4-9(13)8-3-1-5-10-11(8)15-7-14-10/h7-9H,1-6,12-13H2,(H,14,15)
InChIKeyLZETVHGPXVHHLK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.90
Rot. Bonds4

About 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine

1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine (PubChem CID 91455609) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine
PubChem CID91455609
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine
SMILESNCCCC(N)C1CCCc2[nH]cnc21
InChIInChI=1S/C11H20N4/c12-6-2-4-9(13)8-3-1-5-10-11(8)15-7-14-10/h7-9H,1-6,12-13H2,(H,14,15)
InChIKeyLZETVHGPXVHHLK-UHFFFAOYSA-N
XLogP0.90
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine (CID 91455609) is 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine is NCCCC(N)C1CCCc2[nH]cnc21.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine?
The InChIKey is LZETVHGPXVHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-6-2-4-9(13)8-3-1-5-10-11(8)15-7-14-10/h7-9H,1-6,12-13H2,(H,14,15).
What are the key properties of 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine?
1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1H-benzimidazol-4-yl)butane-1,4-diamine is sourced from PubChem (CID 91455609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).