5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide

C20H21N3O2 — CID 86777635

IUPAC5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C20H21N3O2/c24-19(18-9-8-17(25-18)14-23-13-12-21-15-23)22-20(10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,22,24)
InChIKeyMPGSOIUYLWMENU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.72
Rot. Bonds5

About 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide

5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide (PubChem CID 86777635) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
PubChem CID86777635
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C20H21N3O2/c24-19(18-9-8-17(25-18)14-23-13-12-21-15-23)22-20(10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,22,24)
InChIKeyMPGSOIUYLWMENU-UHFFFAOYSA-N
XLogP3.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide?
The IUPAC name of 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide (CID 86777635) is 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide is O=C(NC1(c2ccccc2)CCCC1)c1ccc(Cn2ccnc2)o1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide?
The InChIKey is MPGSOIUYLWMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(18-9-8-17(25-18)14-23-13-12-21-15-23)22-20(10-4-5-11-20)16-6-2-1-3-7-16/h1-3,6-9,12-13,15H,4-5,10-11,14H2,(H,22,24).
What are the key properties of 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide?
5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide is sourced from PubChem (CID 86777635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).