N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine

C12H18N4 — CID 82493713

IUPACN,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9-14-11-5-4-10(8-12(11)15-9)16(3)7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyUWQWDQRQQYCSBV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.53
Rot. Bonds4

About N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine

N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine (PubChem CID 82493713) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
PubChem CID82493713
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H18N4/c1-9-14-11-5-4-10(8-12(11)15-9)16(3)7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyUWQWDQRQQYCSBV-UHFFFAOYSA-N
XLogP1.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine (CID 82493713) is N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine is CNCCN(C)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The InChIKey is UWQWDQRQQYCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9-14-11-5-4-10(8-12(11)15-9)16(3)7-6-13-2/h4-5,8,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 82493713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).