1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea

C27H28N6O — CID 174437269

IUPAC1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H28N6O/c34-27(28-24-9-5-2-6-10-24)33(19-20-11-13-23(14-12-20)26-29-31-32-30-26)25-17-15-22(16-18-25)21-7-3-1-4-8-21/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,28,34)(H,29,30,31,32)
InChIKeyZXCBEUVWYWUDMQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP6.15
Rot. Bonds6

About 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea

1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea (PubChem CID 174437269) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea
PubChem CID174437269
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C27H28N6O/c34-27(28-24-9-5-2-6-10-24)33(19-20-11-13-23(14-12-20)26-29-31-32-30-26)25-17-15-22(16-18-25)21-7-3-1-4-8-21/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,28,34)(H,29,30,31,32)
InChIKeyZXCBEUVWYWUDMQ-UHFFFAOYSA-N
XLogP6.15
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-cyclohexyl-N-[(3-thiophen-3-ylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549966
4-[[4-cyclohexyl-N-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23550001
4-[[N-[[3,5-bis(methylsulfonyl)phenyl]carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 22501846
4-[[4-cyclohexyl-N-[[(1R)-1-phenylethyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 68907342
4-[[4-cyclohexyl-N-[[3-(cyclopropylmethylsulfonyl)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549976
4-[[N-[(3-bromophenyl)carbamoyl]-4-cyclohexylanilino]methyl]benzoic acid
CID 22311090
4-[[N-[(3-bromo-4-methylphenyl)carbamoyl]-4-cyclohexylanilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549801
4-[[4-cyclohexyl-N-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23550013
4-[[4-cyclohexyl-N-[(3,5-dichlorophenyl)methylcarbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549971
5-[[(4-cyclohexylphenyl)-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]carbamoyl]amino]thiophene-2-sulfinic acid
CID 59117007
3-[[4-[[4-cyclohexyl-N-[(3-hydroxyphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid
CID 142140685
4-[[4-cyclohexyl-N-[[3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549980

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea (CID 174437269) is 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea is O=C(Nc1ccccc1)N(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea?
The InChIKey is ZXCBEUVWYWUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c34-27(28-24-9-5-2-6-10-24)33(19-20-11-13-23(14-12-20)26-29-31-32-30-26)25-17-15-22(16-18-25)21-7-3-1-4-8-21/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,28,34)(H,29,30,31,32).
What are the key properties of 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea?
1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea has a molecular weight of 452.56 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-phenyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]urea is sourced from PubChem (CID 174437269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).