N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide

C27H26N4O3 — CID 67385010

IUPACN-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C27H26N4O3/c1-17(32)29-16-18-7-6-10-20(13-18)21-11-12-23-22(14-21)27(25(33)31(2)26(28)30-27)15-24(34-23)19-8-4-3-5-9-19/h3-14,24H,15-16H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyKQDCVXLWWLFCLJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.50
Rot. Bonds4

About N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide

N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide (PubChem CID 67385010) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide
PubChem CID67385010
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C27H26N4O3/c1-17(32)29-16-18-7-6-10-20(13-18)21-11-12-23-22(14-21)27(25(33)31(2)26(28)30-27)15-24(34-23)19-8-4-3-5-9-19/h3-14,24H,15-16H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyKQDCVXLWWLFCLJ-UHFFFAOYSA-N
XLogP3.50
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide (CID 67385010) is N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2ccc3c(c2)C2(CC(c4ccccc4)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide?
The InChIKey is KQDCVXLWWLFCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-17(32)29-16-18-7-6-10-20(13-18)21-11-12-23-22(14-21)27(25(33)31(2)26(28)30-27)15-24(34-23)19-8-4-3-5-9-19/h3-14,24H,15-16H2,1-2H3,(H2,28,30)(H,29,32).
What are the key properties of N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide?
N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide has a molecular weight of 454.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 67385010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).