1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine

C15H24N4 — CID 116949624

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C(C)CCN
InChIInChI=1S/C15H24N4/c1-10(7-8-16)15(17-3)12-5-6-14-13(9-12)18-11(2)19(14)4/h5-6,9-10,15,17H,7-8,16H2,1-4H3
InChIKeyKZOPQDVRXBMICH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.13
Rot. Bonds5

About 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine

1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 116949624) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
PubChem CID116949624
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C(C)CCN
InChIInChI=1S/C15H24N4/c1-10(7-8-16)15(17-3)12-5-6-14-13(9-12)18-11(2)19(14)4/h5-6,9-10,15,17H,7-8,16H2,1-4H3
InChIKeyKZOPQDVRXBMICH-UHFFFAOYSA-N
XLogP2.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine (CID 116949624) is 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine is CNC(c1ccc2c(c1)nc(C)n2C)C(C)CCN.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is KZOPQDVRXBMICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(7-8-16)15(17-3)12-5-6-14-13(9-12)18-11(2)19(14)4/h5-6,9-10,15,17H,7-8,16H2,1-4H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine?
1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).