1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine

C12H18N4 — CID 115196322

IUPAC1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
SMILESCc1nc2cc(NCC(C)N)ccc2n1C
InChIInChI=1S/C12H18N4/c1-8(13)7-14-10-4-5-12-11(6-10)15-9(2)16(12)3/h4-6,8,14H,7,13H2,1-3H3
InChIKeyWMKZRHWDBAZIMK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.64
Rot. Bonds3

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

1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine (PubChem CID 115196322) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
PubChem CID115196322
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
SMILESCc1nc2cc(NCC(C)N)ccc2n1C
InChIInChI=1S/C12H18N4/c1-8(13)7-14-10-4-5-12-11(6-10)15-9(2)16(12)3/h4-6,8,14H,7,13H2,1-3H3
InChIKeyWMKZRHWDBAZIMK-UHFFFAOYSA-N
XLogP1.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine (CID 115196322) is 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine is Cc1nc2cc(NCC(C)N)ccc2n1C.
What is the InChIKey of 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine?
The InChIKey is WMKZRHWDBAZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(13)7-14-10-4-5-12-11(6-10)15-9(2)16(12)3/h4-6,8,14H,7,13H2,1-3H3.
What are the key properties of 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine?
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 115196322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).