N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide

C16H15N3O2 — CID 53159097

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccoc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12-17-7-8-19(12)15-4-2-13(3-5-15)10-18-16(20)14-6-9-21-11-14/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyMCLAFSPRYYFRDG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.70
Rot. Bonds4

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide (PubChem CID 53159097) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
PubChem CID53159097
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccoc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12-17-7-8-19(12)15-4-2-13(3-5-15)10-18-16(20)14-6-9-21-11-14/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyMCLAFSPRYYFRDG-UHFFFAOYSA-N
XLogP2.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 91795041
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 46772071
4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide (CID 53159097) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2ccoc2)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is MCLAFSPRYYFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-17-7-8-19(12)15-4-2-13(3-5-15)10-18-16(20)14-6-9-21-11-14/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 53159097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).