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

C11H13N5O — CID 150557404

IUPAC1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(-c2cnc(N)[nH]2)c1
InChIInChI=1S/C11H13N5O/c1-13-11(17)15-8-4-2-3-7(5-8)9-6-14-10(12)16-9/h2-6H,1H3,(H3,12,14,16)(H2,13,15,17)
InChIKeyIJCXHIHUMFXEMA-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.41
Rot. Bonds2

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

1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea (PubChem CID 150557404) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
PubChem CID150557404
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cccc(-c2cnc(N)[nH]2)c1
InChIInChI=1S/C11H13N5O/c1-13-11(17)15-8-4-2-3-7(5-8)9-6-14-10(12)16-9/h2-6H,1H3,(H3,12,14,16)(H2,13,15,17)
InChIKeyIJCXHIHUMFXEMA-UHFFFAOYSA-N
XLogP1.41
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclohexylurea
CID 135329900
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-hexylurea
CID 135329820
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-(1,3-benzodioxol-5-yl)urea
CID 135329823
3-[3-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dimethylphenyl)-1-phenylurea
CID 135329834
N-[3-(2-amino-1H-imidazol-5-yl)phenyl]-2-ethylhexanamide;hydrochloride
CID 68896503
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
1-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)urea;hydrochloride
CID 162663456
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
CID 154687110
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea?
The IUPAC name of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea (CID 150557404) is 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea.
What is the SMILES notation for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea?
The canonical SMILES for 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea is CNC(=O)Nc1cccc(-c2cnc(N)[nH]2)c1.
What is the InChIKey of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea?
The InChIKey is IJCXHIHUMFXEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-13-11(17)15-8-4-2-3-7(5-8)9-6-14-10(12)16-9/h2-6H,1H3,(H3,12,14,16)(H2,13,15,17).
What are the key properties of 1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea?
1-[3-(2-amino-1H-imidazol-5-yl)phenyl]-3-methylurea has a molecular weight of 231.26 g/mol, XLogP of 1.41, 2 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-methylurea is sourced from PubChem (CID 150557404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).