1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea

C15H19FN4O — CID 167768832

IUPAC1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea
SMILESCCN(C(=O)N(C)Cc1ncc[nH]1)c1cccc(C)c1F
InChIInChI=1S/C15H19FN4O/c1-4-20(12-7-5-6-11(2)14(12)16)15(21)19(3)10-13-17-8-9-18-13/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeySKYQBIHXKKTQEN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.94
Rot. Bonds4

About 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea

1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea (PubChem CID 167768832) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea.

Molecular Properties

Compound Name1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea
PubChem CID167768832
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea
SMILESCCN(C(=O)N(C)Cc1ncc[nH]1)c1cccc(C)c1F
InChIInChI=1S/C15H19FN4O/c1-4-20(12-7-5-6-11(2)14(12)16)15(21)19(3)10-13-17-8-9-18-13/h5-9H,4,10H2,1-3H3,(H,17,18)
InChIKeySKYQBIHXKKTQEN-UHFFFAOYSA-N
XLogP2.94
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea?
The IUPAC name of 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea (CID 167768832) is 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea.
What is the SMILES notation for 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea?
The canonical SMILES for 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea is CCN(C(=O)N(C)Cc1ncc[nH]1)c1cccc(C)c1F.
What is the InChIKey of 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea?
The InChIKey is SKYQBIHXKKTQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-20(12-7-5-6-11(2)14(12)16)15(21)19(3)10-13-17-8-9-18-13/h5-9H,4,10H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea?
1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea has a molecular weight of 290.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-fluoro-3-methylphenyl)-3-(1H-imidazol-2-ylmethyl)-3-methylurea is sourced from PubChem (CID 167768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).