N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine

C14H22N4 — CID 115206036

IUPACN-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-3-15-8-9-16-7-6-12-4-5-14-13(10-12)17-11-18(14)2/h4-5,10-11,15-16H,3,6-9H2,1-2H3
InChIKeyRUPQTZJNFFTEHI-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.31
Rot. Bonds7

About N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine (PubChem CID 115206036) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
PubChem CID115206036
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1ccc2c(c1)ncn2C
InChIInChI=1S/C14H22N4/c1-3-15-8-9-16-7-6-12-4-5-14-13(10-12)17-11-18(14)2/h4-5,10-11,15-16H,3,6-9H2,1-2H3
InChIKeyRUPQTZJNFFTEHI-UHFFFAOYSA-N
XLogP1.31
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
4-(1-methylbenzimidazol-5-yl)butan-2-amine
CID 82491785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine (CID 115206036) is N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine is CCNCCNCCc1ccc2c(c1)ncn2C.
What is the InChIKey of N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine?
The InChIKey is RUPQTZJNFFTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-15-8-9-16-7-6-12-4-5-14-13(10-12)17-11-18(14)2/h4-5,10-11,15-16H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115206036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).