N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide

C29H32N6O3 — CID 71236152

IUPACN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2N2CCN(c3ccccc3C)CC2)o1
InChIInChI=1S/C29H32N6O3/c1-20-5-3-4-6-25(20)34-13-15-35(16-14-34)26-9-8-22(28(36)31-12-11-23-18-30-19-32-23)17-24(26)33-29(37)27-10-7-21(2)38-27/h3-10,17-19H,11-16H2,1-2H3,(H,30,32)(H,31,36)(H,33,37)
InChIKeyOROLZRLWXREVFW-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.17
Rot. Bonds8

About N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide

N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 71236152) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID71236152
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC NameN-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2N2CCN(c3ccccc3C)CC2)o1
InChIInChI=1S/C29H32N6O3/c1-20-5-3-4-6-25(20)34-13-15-35(16-14-34)26-9-8-22(28(36)31-12-11-23-18-30-19-32-23)17-24(26)33-29(37)27-10-7-21(2)38-27/h3-10,17-19H,11-16H2,1-2H3,(H,30,32)(H,31,36)(H,33,37)
InChIKeyOROLZRLWXREVFW-UHFFFAOYSA-N
XLogP4.17
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide (CID 71236152) is N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(=O)NCCc3cnc[nH]3)ccc2N2CCN(c3ccccc3C)CC2)o1.
What is the InChIKey of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is OROLZRLWXREVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-20-5-3-4-6-25(20)34-13-15-35(16-14-34)26-9-8-22(28(36)31-12-11-23-18-30-19-32-23)17-24(26)33-29(37)27-10-7-21(2)38-27/h3-10,17-19H,11-16H2,1-2H3,(H,30,32)(H,31,36)(H,33,37).
What are the key properties of N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?
N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 71236152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).