1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea

C18H21N5O — CID 70893562

IUPAC1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C2=CN(C)CN2N)cc1
InChIInChI=1S/C18H21N5O/c1-13-5-3-4-6-16(13)21-18(24)20-15-9-7-14(8-10-15)17-11-22(2)12-23(17)19/h3-11H,12,19H2,1-2H3,(H2,20,21,24)
InChIKeyZZSDRGVIKJYVDF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.02
Rot. Bonds3

About 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea

1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea (PubChem CID 70893562) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea
PubChem CID70893562
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(C2=CN(C)CN2N)cc1
InChIInChI=1S/C18H21N5O/c1-13-5-3-4-6-16(13)21-18(24)20-15-9-7-14(8-10-15)17-11-22(2)12-23(17)19/h3-11H,12,19H2,1-2H3,(H2,20,21,24)
InChIKeyZZSDRGVIKJYVDF-UHFFFAOYSA-N
XLogP3.02
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
1-(2-methylphenyl)-3-(4-nitrosophenyl)urea
CID 174923533
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
1-[4-(chloromethyl)phenyl]-3-(2-methylphenyl)urea
CID 22459222
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methylphenyl)urea
CID 121089798
ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 70107812
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
2-chloro-2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
CID 141036417
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea (CID 70893562) is 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(C2=CN(C)CN2N)cc1.
What is the InChIKey of 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
The InChIKey is ZZSDRGVIKJYVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-5-3-4-6-16(13)21-18(24)20-15-9-7-14(8-10-15)17-11-22(2)12-23(17)19/h3-11H,12,19H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea?
1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methyl-2H-imidazol-4-yl)phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 70893562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).