N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

C23H20N4O3 — CID 37425019

IUPACN-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H20N4O3/c28-22(19-7-9-20(10-8-19)26-23(29)21-2-1-13-30-21)25-14-17-3-5-18(6-4-17)15-27-12-11-24-16-27/h1-13,16H,14-15H2,(H,25,28)(H,26,29)
InChIKeyVDMXBMVBPNDSSU-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.71
Rot. Bonds7

About N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 37425019) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID37425019
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H20N4O3/c28-22(19-7-9-20(10-8-19)26-23(29)21-2-1-13-30-21)25-14-17-3-5-18(6-4-17)15-27-12-11-24-16-27/h1-13,16H,14-15H2,(H,25,28)(H,26,29)
InChIKeyVDMXBMVBPNDSSU-UHFFFAOYSA-N
XLogP3.71
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[4-[[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42018140
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 37425019) is N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is VDMXBMVBPNDSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22(19-7-9-20(10-8-19)26-23(29)21-2-1-13-30-21)25-14-17-3-5-18(6-4-17)15-27-12-11-24-16-27/h1-13,16H,14-15H2,(H,25,28)(H,26,29).
What are the key properties of N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 37425019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).