1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea

C21H24N4O2 — CID 24855735

IUPAC1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
SMILESCOc1cc(NC(=O)NCCCc2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H24N4O2/c1-16-14-25(15-23-16)19-11-10-18(13-20(19)27-2)24-21(26)22-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H2,22,24,26)
InChIKeyNQVHBXPMKDIQBX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.94
Rot. Bonds7

About 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea

1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea (PubChem CID 24855735) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
PubChem CID24855735
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
SMILESCOc1cc(NC(=O)NCCCc2ccccc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C21H24N4O2/c1-16-14-25(15-23-16)19-11-10-18(13-20(19)27-2)24-21(26)22-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H2,22,24,26)
InChIKeyNQVHBXPMKDIQBX-UHFFFAOYSA-N
XLogP3.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea;2,2,2-trifluoroacetic acid
CID 68594242
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
CID 67809218
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3-(3-phenylprop-1-en-2-ylamino)prop-2-enimidoyl chloride
CID 173286043
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-benzyl-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075746

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea (CID 24855735) is 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea is COc1cc(NC(=O)NCCCc2ccccc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea?
The InChIKey is NQVHBXPMKDIQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-14-25(15-23-16)19-11-10-18(13-20(19)27-2)24-21(26)22-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H2,22,24,26).
What are the key properties of 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea?
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea has a molecular weight of 364.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 24855735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).