N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline

C17H17N3O — CID 166189514

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline
SMILESC(=C/c1ccco1)\CNc1ccccc1Cn1ccnc1
InChIInChI=1S/C17H17N3O/c1-2-8-17(15(5-1)13-20-11-10-18-14-20)19-9-3-6-16-7-4-12-21-16/h1-8,10-12,14,19H,9,13H2/b6-3+
InChIKeyUXSSNAWKSVEJBB-ZZXKWVIFSA-N
MW279.34 g/mol
LogP3.65
Rot. Bonds6

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline

N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline (PubChem CID 166189514) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline
PubChem CID166189514
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline
SMILESC(=C/c1ccco1)\CNc1ccccc1Cn1ccnc1
InChIInChI=1S/C17H17N3O/c1-2-8-17(15(5-1)13-20-11-10-18-14-20)19-9-3-6-16-7-4-12-21-16/h1-8,10-12,14,19H,9,13H2/b6-3+
InChIKeyUXSSNAWKSVEJBB-ZZXKWVIFSA-N
XLogP3.65
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
CID 115865967
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CID 167788715
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
CID 57306427
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-(3-chloroprop-1-enyl)furan
CID 54215427
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline (CID 166189514) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline is C(=C/c1ccco1)\CNc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline?
The InChIKey is UXSSNAWKSVEJBB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-8-17(15(5-1)13-20-11-10-18-14-20)19-9-3-6-16-7-4-12-21-16/h1-8,10-12,14,19H,9,13H2/b6-3+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline has a molecular weight of 279.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline is sourced from PubChem (CID 166189514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).