2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

C19H20N4O3 — CID 46994415

IUPAC2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-20-17(21-12)11-23(3)19(25)14-4-6-15(7-5-14)22-18(24)16-8-9-26-13(16)2/h4-10H,11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyYVCNPRAAKORYRK-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide

2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (PubChem CID 46994415) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
PubChem CID46994415
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-10-20-17(21-12)11-23(3)19(25)14-4-6-15(7-5-14)22-18(24)16-8-9-26-13(16)2/h4-10H,11H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyYVCNPRAAKORYRK-UHFFFAOYSA-N
XLogP3.14
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide (CID 46994415) is 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is Cc1cnc(CN(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)[nH]1.
What is the InChIKey of 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
The InChIKey is YVCNPRAAKORYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-10-20-17(21-12)11-23(3)19(25)14-4-6-15(7-5-14)22-18(24)16-8-9-26-13(16)2/h4-10H,11H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide?
2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 46994415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).