1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea

C22H24N6O2 — CID 167790037

IUPAC1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESCc1cnc(C2(NC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2)[nH]1
InChIInChI=1S/C22H24N6O2/c1-15-14-23-19(24-15)22(11-6-12-22)28-21(30)27-18-10-5-9-17(13-18)26-20(29)25-16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24)(H2,25,26,29)(H2,27,28,30)
InChIKeyMWIOVZCTQZKRDZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.56
Rot. Bonds5

About 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea

1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea (PubChem CID 167790037) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
PubChem CID167790037
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
SMILESCc1cnc(C2(NC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2)[nH]1
InChIInChI=1S/C22H24N6O2/c1-15-14-23-19(24-15)22(11-6-12-22)28-21(30)27-18-10-5-9-17(13-18)26-20(29)25-16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24)(H2,25,26,29)(H2,27,28,30)
InChIKeyMWIOVZCTQZKRDZ-UHFFFAOYSA-N
XLogP4.56
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea
CID 166358541
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
5-methyl-N-phenyl-1H-imidazole-2-carboxamide
CID 126500296
2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-oxo-1H-pyrazole-5-carboxamide
CID 167815780
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-[5-(dimethylamino)-2-pyridinyl]-3-(1-phenylcyclobutyl)urea
CID 126783772
N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
CID 167875518
2-[1-[(1-methylpyrrole-2-carbonyl)amino]cyclobutyl]-1H-imidazole-5-carboxylic acid
CID 60827601
1-[1-(5-methoxy-6-oxo-1H-pyrimidin-2-yl)cyclopentyl]-3-pyrimidin-2-ylurea
CID 167895667
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 126775055

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea (CID 167790037) is 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea is Cc1cnc(C2(NC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)CCC2)[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
The InChIKey is MWIOVZCTQZKRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-14-23-19(24-15)22(11-6-12-22)28-21(30)27-18-10-5-9-17(13-18)26-20(29)25-16-7-3-2-4-8-16/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24)(H2,25,26,29)(H2,27,28,30).
What are the key properties of 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea?
1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea has a molecular weight of 404.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 167790037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).