N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine

C12H18N4 — CID 83836721

IUPACN'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCc1ccc2nc(N(C)CCN)n(C)c2c1
InChIInChI=1S/C12H18N4/c1-9-4-5-10-11(8-9)16(3)12(14-10)15(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyKMQVTEGDHWBJRH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.28
Rot. Bonds3

About N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine

N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 83836721) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
PubChem CID83836721
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine
SMILESCc1ccc2nc(N(C)CCN)n(C)c2c1
InChIInChI=1S/C12H18N4/c1-9-4-5-10-11(8-9)16(3)12(14-10)15(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyKMQVTEGDHWBJRH-UHFFFAOYSA-N
XLogP1.28
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
CID 115144217
N-butyl-N,1-dimethylbenzimidazol-2-amine
CID 71723450
N'-methyl-N'-(5-methyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83832889
N,1-dimethyl-N-(2-phenylethyl)benzimidazol-2-amine
CID 115144055
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
3-(1,6-dimethylbenzimidazol-2-yl)propanenitrile
CID 166647798
(1-ethyl-6-methylbenzimidazol-2-yl)methanamine
CID 123207150
N-[(4-bromothiophen-2-yl)methyl]-N,1-dimethylbenzimidazol-2-amine
CID 115144026

Frequently Asked Questions

What is the IUPAC name of N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine (CID 83836721) is N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine is Cc1ccc2nc(N(C)CCN)n(C)c2c1.
What is the InChIKey of N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is KMQVTEGDHWBJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-4-5-10-11(8-9)16(3)12(14-10)15(2)7-6-13/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine?
N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,6-dimethylbenzimidazol-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83836721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).