2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide

C21H23ClN6O3 — CID 68693079

IUPAC2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(CC(N)=O)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN6O3/c1-27-11-10-25-19(27)13-2-6-15(7-3-13)26-20(30)17(12-18(23)29)28(21(24)31)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H2,23,29)(H2,24,31)(H,26,30)
InChIKeyYCMGKNMPALCZTE-UHFFFAOYSA-N
MW442.91 g/mol
LogP1.80
Rot. Bonds7

About 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide

2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide (PubChem CID 68693079) has the molecular formula C21H23ClN6O3 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide.

Molecular Properties

Compound Name2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide
PubChem CID68693079
Molecular FormulaC21H23ClN6O3
Molecular Weight442.91 g/mol
Exact Mass442.15
IUPAC Name2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(CC(N)=O)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H23ClN6O3/c1-27-11-10-25-19(27)13-2-6-15(7-3-13)26-20(30)17(12-18(23)29)28(21(24)31)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H2,23,29)(H2,24,31)(H,26,30)
InChIKeyYCMGKNMPALCZTE-UHFFFAOYSA-N
XLogP1.80
TPSA134.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-3-ylacetamide
CID 68695654
(3S)-3-[(4-chlorophenyl)carbamoylamino]-4-[4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 11539529
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(4-phenyl-1,3-dioxetan-2-yl)propanamide
CID 70910951
N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 159828628
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295
4-amino-N-(4-chlorophenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82120627
2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 142246680
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
2-[(4-ethynylphenyl)carbamoylamino]-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 11612264
3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10207342
2-(N-carbamoyl-4-chloroanilino)-2-(2-methylphenyl)-N-[4-[methyl(pyridin-4-yl)amino]phenyl]acetamide
CID 68693127

Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide?
The IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide (CID 68693079) is 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide.
What is the SMILES notation for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide?
The canonical SMILES for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide is CN1CCN=C1c1ccc(NC(=O)C(CC(N)=O)N(C(N)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide?
The InChIKey is YCMGKNMPALCZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3/c1-27-11-10-25-19(27)13-2-6-15(7-3-13)26-20(30)17(12-18(23)29)28(21(24)31)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H2,23,29)(H2,24,31)(H,26,30).
What are the key properties of 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide?
2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide has a molecular weight of 442.91 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-4-chloroanilino)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]butanediamide is sourced from PubChem (CID 68693079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).