1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea

C16H20F2N4O3 — CID 38216175

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)Cc2nccn2C(F)F)cc1OC
InChIInChI=1S/C16H20F2N4O3/c1-21(10-14-19-6-7-22(14)15(17)18)16(23)20-9-11-4-5-12(24-2)13(8-11)25-3/h4-8,15H,9-10H2,1-3H3,(H,20,23)
InChIKeyLWMUMSLYYZMZEN-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.64
Rot. Bonds7

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea (PubChem CID 38216175) has the molecular formula C16H20F2N4O3 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
PubChem CID38216175
Molecular FormulaC16H20F2N4O3
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)Cc2nccn2C(F)F)cc1OC
InChIInChI=1S/C16H20F2N4O3/c1-21(10-14-19-6-7-22(14)15(17)18)16(23)20-9-11-4-5-12(24-2)13(8-11)25-3/h4-8,15H,9-10H2,1-3H3,(H,20,23)
InChIKeyLWMUMSLYYZMZEN-UHFFFAOYSA-N
XLogP2.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]amino]methyl]phenyl]-2-methylbutanamide
CID 87008104
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,4-dimethoxy-N-methylbenzamide
CID 38342197
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111214649
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
CID 55799872
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 38341610
1-[(2-bromophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea
CID 17430467
3-[2-(benzenesulfonyl)ethyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 87038968
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 38326031
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-3-methoxybenzoic acid
CID 43244336
2-[(3,4-dimethoxyphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62639198
1-(cyclopentylmethyl)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 86869175
2-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 5303266

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea (CID 38216175) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea is COc1ccc(CNC(=O)N(C)Cc2nccn2C(F)F)cc1OC.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea?
The InChIKey is LWMUMSLYYZMZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3/c1-21(10-14-19-6-7-22(14)15(17)18)16(23)20-9-11-4-5-12(24-2)13(8-11)25-3/h4-8,15H,9-10H2,1-3H3,(H,20,23).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea has a molecular weight of 354.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 38216175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).