N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

C22H24N4O3 — CID 55984022

IUPACN-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)12-20(27)24-17-6-8-18(9-7-17)25-21(28)16-4-10-19(11-5-16)26-15(3)13-23-22(26)29/h4-11,13-14H,12H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyCACRTRUJBIOURE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.71
Rot. Bonds6

About N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 55984022) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
PubChem CID55984022
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)12-20(27)24-17-6-8-18(9-7-17)25-21(28)16-4-10-19(11-5-16)26-15(3)13-23-22(26)29/h4-11,13-14H,12H2,1-3H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyCACRTRUJBIOURE-UHFFFAOYSA-N
XLogP3.71
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-2-oxo-1H-imidazol-3-yl)-N-(4-methylsulfanylphenyl)benzamide
CID 60563637
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 33036805
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
CID 5227742
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117365079

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide (CID 55984022) is N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide is Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
The InChIKey is CACRTRUJBIOURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)12-20(27)24-17-6-8-18(9-7-17)25-21(28)16-4-10-19(11-5-16)26-15(3)13-23-22(26)29/h4-11,13-14H,12H2,1-3H3,(H,23,29)(H,24,27)(H,25,28).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide?
N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 55984022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).