1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea

C16H21N5O — CID 135329900

IUPAC1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
SMILESNc1ncc(-c2cccc(NC(=O)NC3CCCCC3)c2)[nH]1
InChIInChI=1S/C16H21N5O/c17-15-18-10-14(21-15)11-5-4-8-13(9-11)20-16(22)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H3,17,18,21)(H2,19,20,22)
InChIKeyUSBSLMIKYRLPAX-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.11
Rot. Bonds3

About 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea (PubChem CID 135329900) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
PubChem CID135329900
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea
SMILESNc1ncc(-c2cccc(NC(=O)NC3CCCCC3)c2)[nH]1
InChIInChI=1S/C16H21N5O/c17-15-18-10-14(21-15)11-5-4-8-13(9-11)20-16(22)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H3,17,18,21)(H2,19,20,22)
InChIKeyUSBSLMIKYRLPAX-UHFFFAOYSA-N
XLogP3.11
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
CID 150557404
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3-cyanophenyl)urea
CID 135329895
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(1,3-benzodioxol-5-yl)urea
CID 135329823
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-hexylurea
CID 135329820
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
CID 167893023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea (CID 135329900) is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea is Nc1ncc(-c2cccc(NC(=O)NC3CCCCC3)c2)[nH]1.
What is the InChIKey of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea?
The InChIKey is USBSLMIKYRLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-15-18-10-14(21-15)11-5-4-8-13(9-11)20-16(22)19-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7H2,(H3,17,18,21)(H2,19,20,22).
What are the key properties of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea?
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea has a molecular weight of 299.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 135329900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).