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

C14H22N4 — CID 96675483

IUPACN,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H22N4/c1-10(2)14-16-12-6-5-11(9-13(12)17-14)18(4)8-7-15-3/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyXUUXLVWRXHRXBX-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.34
Rot. Bonds5

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

N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine (PubChem CID 96675483) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine
PubChem CID96675483
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine
SMILESCNCCN(C)c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C14H22N4/c1-10(2)14-16-12-6-5-11(9-13(12)17-14)18(4)8-7-15-3/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyXUUXLVWRXHRXBX-UHFFFAOYSA-N
XLogP2.34
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
CID 162266881
CID 162266881
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
N-methyl-2-propan-2-yl-N-(2-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765642
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
6-phenyl-2-propan-2-yl-1H-benzimidazole
CID 58158979
2-propan-2-yl-6-[(2-propan-2-yl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 1080111
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine (CID 96675483) is N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine is CNCCN(C)c1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
The InChIKey is XUUXLVWRXHRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)14-16-12-6-5-11(9-13(12)17-14)18(4)8-7-15-3/h5-6,9-10,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.34, 5 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-propan-2-yl-3H-benzimidazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 96675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).