N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine

C14H22N4 — CID 60697290

IUPACN',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc2ccccc2n1CCNCCN(C)C
InChIInChI=1S/C14H22N4/c1-12-16-13-6-4-5-7-14(13)18(12)11-9-15-8-10-17(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyJJTLXRRQSCAXTO-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.50
Rot. Bonds6

About N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 60697290) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
PubChem CID60697290
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCc1nc2ccccc2n1CCNCCN(C)C
InChIInChI=1S/C14H22N4/c1-12-16-13-6-4-5-7-14(13)18(12)11-9-15-8-10-17(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyJJTLXRRQSCAXTO-UHFFFAOYSA-N
XLogP1.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
2-(2-methylbenzimidazol-1-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654333

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine (CID 60697290) is N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine is Cc1nc2ccccc2n1CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is JJTLXRRQSCAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-16-13-6-4-5-7-14(13)18(12)11-9-15-8-10-17(2)3/h4-7,15H,8-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 60697290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).