N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

C17H21N3O — CID 63105832

IUPACN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCCc1nc2ccccc2n1CCNC(C)c1ccco1
InChIInChI=1S/C17H21N3O/c1-3-17-19-14-7-4-5-8-15(14)20(17)11-10-18-13(2)16-9-6-12-21-16/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyXSQSOCCBBTYJFN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 63105832) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID63105832
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCCc1nc2ccccc2n1CCNC(C)c1ccco1
InChIInChI=1S/C17H21N3O/c1-3-17-19-14-7-4-5-8-15(14)20(17)11-10-18-13(2)16-9-6-12-21-16/h4-9,12-13,18H,3,10-11H2,1-2H3
InChIKeyXSQSOCCBBTYJFN-UHFFFAOYSA-N
XLogP3.54
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 81392850
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
CID 62633045
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 63105832) is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is CCc1nc2ccccc2n1CCNC(C)c1ccco1.
What is the InChIKey of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is XSQSOCCBBTYJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-17-19-14-7-4-5-8-15(14)20(17)11-10-18-13(2)16-9-6-12-21-16/h4-9,12-13,18H,3,10-11H2,1-2H3.
What are the key properties of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.54, 6 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]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 63105832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).