N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine

C15H24N4 — CID 115203481

IUPACN'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-12(10-16)5-7-19(2)8-6-13-3-4-14-15(9-13)18-11-17-14/h3-4,9,11-12H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyFNMVAOPHSDZIMR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.02
Rot. Bonds7

About N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine

N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine (PubChem CID 115203481) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
PubChem CID115203481
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)CCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-12(10-16)5-7-19(2)8-6-13-3-4-14-15(9-13)18-11-17-14/h3-4,9,11-12H,5-8,10,16H2,1-2H3,(H,17,18)
InChIKeyFNMVAOPHSDZIMR-UHFFFAOYSA-N
XLogP2.02
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124633
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203453
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine (CID 115203481) is N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine is CC(CN)CCN(C)CCc1ccc2nc[nH]c2c1.
What is the InChIKey of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine?
The InChIKey is FNMVAOPHSDZIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(10-16)5-7-19(2)8-6-13-3-4-14-15(9-13)18-11-17-14/h3-4,9,11-12H,5-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine?
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115203481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).