5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide

C21H26N4O2 — CID 143943573

IUPAC5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)c1coc(CNC2CC2)c1
InChIInChI=1S/C21H26N4O2/c1-25(21(26)17-12-19(27-14-17)13-24-18-6-7-18)11-8-15-2-4-16(5-3-15)20-22-9-10-23-20/h2-5,12,14,18,24H,6-11,13H2,1H3,(H,22,23)
InChIKeyVVQBKMSOAGJWML-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.20
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide

5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide (PubChem CID 143943573) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide
PubChem CID143943573
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide
SMILESCN(CCc1ccc(C2=NCCN2)cc1)C(=O)c1coc(CNC2CC2)c1
InChIInChI=1S/C21H26N4O2/c1-25(21(26)17-12-19(27-14-17)13-24-18-6-7-18)11-8-15-2-4-16(5-3-15)20-22-9-10-23-20/h2-5,12,14,18,24H,6-11,13H2,1H3,(H,22,23)
InChIKeyVVQBKMSOAGJWML-UHFFFAOYSA-N
XLogP2.20
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide (CID 143943573) is 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide is CN(CCc1ccc(C2=NCCN2)cc1)C(=O)c1coc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
The InChIKey is VVQBKMSOAGJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-25(21(26)17-12-19(27-14-17)13-24-18-6-7-18)11-8-15-2-4-16(5-3-15)20-22-9-10-23-20/h2-5,12,14,18,24H,6-11,13H2,1H3,(H,22,23).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide?
5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 143943573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).