N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine

C14H22N4 — CID 115198422

IUPACN'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCc1nc2cc(N(C)CC(C)CN)ccc2n1C
InChIInChI=1S/C14H22N4/c1-10(8-15)9-17(3)12-5-6-14-13(7-12)16-11(2)18(14)4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyKHMOKWSEXFUSNO-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.91
Rot. Bonds4

About N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine

N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115198422) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115198422
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
SMILESCc1nc2cc(N(C)CC(C)CN)ccc2n1C
InChIInChI=1S/C14H22N4/c1-10(8-15)9-17(3)12-5-6-14-13(7-12)16-11(2)18(14)4/h5-7,10H,8-9,15H2,1-4H3
InChIKeyKHMOKWSEXFUSNO-UHFFFAOYSA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]propan-2-ol
CID 115121284
2-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]acetonitrile
CID 115130903
3-[(1,2-dimethylbenzimidazol-5-yl)-methylamino]butanoic acid
CID 117042147
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
CID 115119590
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
N'-(3,5-dimethylphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62001860
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63228923
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine (CID 115198422) is N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine is Cc1nc2cc(N(C)CC(C)CN)ccc2n1C.
What is the InChIKey of N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is KHMOKWSEXFUSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(8-15)9-17(3)12-5-6-14-13(7-12)16-11(2)18(14)4/h5-7,10H,8-9,15H2,1-4H3.
What are the key properties of N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine?
N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).