2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine

C16H18N4 — CID 115124633

IUPAC2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(CCc1ccc2nc[nH]c2c1)c1ccccc1N
InChIInChI=1S/C16H18N4/c1-20(16-5-3-2-4-13(16)17)9-8-12-6-7-14-15(10-12)19-11-18-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19)
InChIKeyCUHMFGQMHNLRJE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.82
Rot. Bonds4

About 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine

2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 115124633) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
PubChem CID115124633
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
SMILESCN(CCc1ccc2nc[nH]c2c1)c1ccccc1N
InChIInChI=1S/C16H18N4/c1-20(16-5-3-2-4-13(16)17)9-8-12-6-7-14-15(10-12)19-11-18-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19)
InChIKeyCUHMFGQMHNLRJE-UHFFFAOYSA-N
XLogP2.82
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
1-N-(3H-benzimidazol-5-ylmethyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125097
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
6-pentyl-1H-benzimidazole
CID 58767911
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine (CID 115124633) is 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine is CN(CCc1ccc2nc[nH]c2c1)c1ccccc1N.
What is the InChIKey of 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is CUHMFGQMHNLRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20(16-5-3-2-4-13(16)17)9-8-12-6-7-14-15(10-12)19-11-18-14/h2-7,10-11H,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine?
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).