1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea

C22H21N3O — CID 112989569

IUPAC1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-16-15-17-7-5-6-10-21(17)25(16)20-13-11-19(12-14-20)24-22(26)23-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H2,23,24,26)
InChIKeyIJKQUPRNYGRDJI-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.41
Rot. Bonds3

About 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea

1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea (PubChem CID 112989569) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
PubChem CID112989569
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
SMILESCC1Cc2ccccc2N1c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21N3O/c1-16-15-17-7-5-6-10-21(17)25(16)20-13-11-19(12-14-20)24-22(26)23-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H2,23,24,26)
InChIKeyIJKQUPRNYGRDJI-UHFFFAOYSA-N
XLogP5.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
2-(2-methoxyphenoxy)-N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]acetamide
CID 112989568
1-[4-(dimethylsulfamoylamino)phenyl]-2-methyl-2,3-dihydroindole
CID 112989581
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
N-(4-fluorophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109244279
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
CID 112989587
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
CID 71889672

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea (CID 112989569) is 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea is CC1Cc2ccccc2N1c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea?
The InChIKey is IJKQUPRNYGRDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-15-17-7-5-6-10-21(17)25(16)20-13-11-19(12-14-20)24-22(26)23-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea?
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea has a molecular weight of 343.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 112989569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).