N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

C15H24N4 — CID 63106194

IUPACN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1nc2ccccc2n1CCNCCN(C)C
InChIInChI=1S/C15H24N4/c1-4-15-17-13-7-5-6-8-14(13)19(15)12-10-16-9-11-18(2)3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyWHPAFZHZXICGJZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 63106194) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID63106194
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1nc2ccccc2n1CCNCCN(C)C
InChIInChI=1S/C15H24N4/c1-4-15-17-13-7-5-6-8-14(13)19(15)12-10-16-9-11-18(2)3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyWHPAFZHZXICGJZ-UHFFFAOYSA-N
XLogP1.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
CID 63107484
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
N-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115971123
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
CID 63106920
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 63105832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 63106194) is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is CCc1nc2ccccc2n1CCNCCN(C)C.
What is the InChIKey of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is WHPAFZHZXICGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-15-17-13-7-5-6-8-14(13)19(15)12-10-16-9-11-18(2)3/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63106194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).