(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide

C24H23ClN6O2 — CID 11754112

IUPAC(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
SMILESNC1=NCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClN6O2/c25-17-6-8-19(9-7-17)29-24(33)30-21(16-4-2-1-3-5-16)22(32)28-18-10-12-20(13-11-18)31-15-14-27-23(31)26/h1-13,21H,14-15H2,(H2,26,27)(H,28,32)(H2,29,30,33)/t21-/m1/s1
InChIKeyRJKICIJILVMNOK-OAQYLSRUSA-N
MW462.94 g/mol
LogP3.98
Rot. Bonds6

About (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide

(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide (PubChem CID 11754112) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
PubChem CID11754112
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
SMILESNC1=NCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClN6O2/c25-17-6-8-19(9-7-17)29-24(33)30-21(16-4-2-1-3-5-16)22(32)28-18-10-12-20(13-11-18)31-15-14-27-23(31)26/h1-13,21H,14-15H2,(H2,26,27)(H,28,32)(H2,29,30,33)/t21-/m1/s1
InChIKeyRJKICIJILVMNOK-OAQYLSRUSA-N
XLogP3.98
TPSA111.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 21088813
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-2-phenylacetamide;hydrochloride
CID 131738098
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-iminopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 11754720
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-methoxyiminopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 85123301
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-imino-5-methyl-1,3,4-thiadiazol-3-yl)phenyl]-2-phenylacetamide
CID 21088795
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[3-methyl-4-(2-sulfanylidenepyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 12992876
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553
(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10096868
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
CID 67164199
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(methylhydrazinylidene)cyclohexa-1,5-dien-1-yl]-2-phenylacetamide
CID 68696137
2-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(methylhydrazinylidene)cyclohexa-1,5-dien-1-yl]-2-phenylacetamide
CID 68697724

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide (CID 11754112) is (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide is NC1=NCCN1c1ccc(NC(=O)[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide?
The InChIKey is RJKICIJILVMNOK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c25-17-6-8-19(9-7-17)29-24(33)30-21(16-4-2-1-3-5-16)22(32)28-18-10-12-20(13-11-18)31-15-14-27-23(31)26/h1-13,21H,14-15H2,(H2,26,27)(H,28,32)(H2,29,30,33)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide?
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide has a molecular weight of 462.94 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide is sourced from PubChem (CID 11754112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).