[3-(1H-imidazol-2-ylmethylamino)phenyl]urea

C11H13N5O — CID 54976227

IUPAC[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C11H13N5O/c12-11(17)16-9-3-1-2-8(6-9)15-7-10-13-4-5-14-10/h1-6,15H,7H2,(H,13,14)(H3,12,16,17)
InChIKeyOHNDTBKLODAWSV-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.51
Rot. Bonds4

About [3-(1H-imidazol-2-ylmethylamino)phenyl]urea

[3-(1H-imidazol-2-ylmethylamino)phenyl]urea (PubChem CID 54976227) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-(1H-imidazol-2-ylmethylamino)phenyl]urea.

Molecular Properties

Compound Name[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
PubChem CID54976227
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C11H13N5O/c12-11(17)16-9-3-1-2-8(6-9)15-7-10-13-4-5-14-10/h1-6,15H,7H2,(H,13,14)(H3,12,16,17)
InChIKeyOHNDTBKLODAWSV-UHFFFAOYSA-N
XLogP1.51
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(1H-imidazol-2-ylmethylamino)phenyl]carbamate
CID 107239900
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 54976273
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604
2-[3-(1H-imidazol-2-ylmethylamino)phenoxy]acetonitrile
CID 54976517
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide
CID 84593207

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-ylmethylamino)phenyl]urea?
The IUPAC name of [3-(1H-imidazol-2-ylmethylamino)phenyl]urea (CID 54976227) is [3-(1H-imidazol-2-ylmethylamino)phenyl]urea.
What is the SMILES notation for [3-(1H-imidazol-2-ylmethylamino)phenyl]urea?
The canonical SMILES for [3-(1H-imidazol-2-ylmethylamino)phenyl]urea is NC(=O)Nc1cccc(NCc2ncc[nH]2)c1.
What is the InChIKey of [3-(1H-imidazol-2-ylmethylamino)phenyl]urea?
The InChIKey is OHNDTBKLODAWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11(17)16-9-3-1-2-8(6-9)15-7-10-13-4-5-14-10/h1-6,15H,7H2,(H,13,14)(H3,12,16,17).
What are the key properties of [3-(1H-imidazol-2-ylmethylamino)phenyl]urea?
[3-(1H-imidazol-2-ylmethylamino)phenyl]urea has a molecular weight of 231.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-ylmethylamino)phenyl]urea is sourced from PubChem (CID 54976227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).