4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one

C20H22N4O3 — CID 20504041

IUPAC4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESCc1ccccc1N1CCN(Cc2[nH]c(=O)[nH]c2C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22N4O3/c1-14-5-2-3-6-16(14)24-10-8-23(9-11-24)13-15-18(22-20(26)21-15)19(25)17-7-4-12-27-17/h2-7,12H,8-11,13H2,1H3,(H2,21,22,26)
InChIKeyJLTUWONRIIAESB-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.16
Rot. Bonds5

About 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one

4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one (PubChem CID 20504041) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one
PubChem CID20504041
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one
SMILESCc1ccccc1N1CCN(Cc2[nH]c(=O)[nH]c2C(=O)c2ccco2)CC1
InChIInChI=1S/C20H22N4O3/c1-14-5-2-3-6-16(14)24-10-8-23(9-11-24)13-15-18(22-20(26)21-15)19(25)17-7-4-12-27-17/h2-7,12H,8-11,13H2,1H3,(H2,21,22,26)
InChIKeyJLTUWONRIIAESB-UHFFFAOYSA-N
XLogP2.16
TPSA85.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methylphenyl)-1H-pyrimidine-2,4-dione
CID 5310020
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
methyl 2-[4-(2-methylphenyl)piperazin-1-yl]acetate
CID 22200648
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
3-hydroxy-6-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 71590993
furan-2-yl-[5-methyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]methanone
CID 46740413
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one (CID 20504041) is 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one is Cc1ccccc1N1CCN(Cc2[nH]c(=O)[nH]c2C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one?
The InChIKey is JLTUWONRIIAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-2-3-6-16(14)24-10-8-23(9-11-24)13-15-18(22-20(26)21-15)19(25)17-7-4-12-27-17/h2-7,12H,8-11,13H2,1H3,(H2,21,22,26).
What are the key properties of 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one?
4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 20504041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).