1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

C22H27N5O — CID 97257367

IUPAC1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N5O/c1-5-18(21-23-14-20(24-21)16-9-7-6-8-10-16)25-22(28)26-19-12-11-17(27(3)4)13-15(19)2/h6-14,18H,5H2,1-4H3,(H,23,24)(H2,25,26,28)/t18-/m0/s1
InChIKeyIVZAZMZYDVGPCU-SFHVURJKSA-N
MW377.49 g/mol
LogP4.72
Rot. Bonds6

About 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea

1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (PubChem CID 97257367) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
PubChem CID97257367
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C22H27N5O/c1-5-18(21-23-14-20(24-21)16-9-7-6-8-10-16)25-22(28)26-19-12-11-17(27(3)4)13-15(19)2/h6-14,18H,5H2,1-4H3,(H,23,24)(H2,25,26,28)/t18-/m0/s1
InChIKeyIVZAZMZYDVGPCU-SFHVURJKSA-N
XLogP4.72
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Mavorixafor
CID 11256587
Mifentidine
CID 71263
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280
1-(3,5-dimethylphenyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-2-one
CID 10779428
2,4-Diphenylimidazole
CID 296732
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-Diethyl-5-(5-m-tolyl-3H-imidazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063936

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The IUPAC name of 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea (CID 97257367) is 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is CC[C@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
The InChIKey is IVZAZMZYDVGPCU-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-18(21-23-14-20(24-21)16-9-7-6-8-10-16)25-22(28)26-19-12-11-17(27(3)4)13-15(19)2/h6-14,18H,5H2,1-4H3,(H,23,24)(H2,25,26,28)/t18-/m0/s1.
What are the key properties of 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea?
1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea has a molecular weight of 377.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-methylphenyl]-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]urea is sourced from PubChem (CID 97257367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).