1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea

C20H21FN4O2 — CID 38203555

IUPAC1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@H](c1ccccc1F)c1nccn1C
InChIInChI=1S/C20H21FN4O2/c1-25-12-11-22-19(25)18(15-8-4-5-9-16(15)21)24-20(26)23-13-14-7-3-6-10-17(14)27-2/h3-12,18H,13H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyLDXNYFXDFFURKO-GOSISDBHSA-N
MW368.41 g/mol
LogP3.16
Rot. Bonds6

About 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea

1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38203555) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38203555
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@H](c1ccccc1F)c1nccn1C
InChIInChI=1S/C20H21FN4O2/c1-25-12-11-22-19(25)18(15-8-4-5-9-16(15)21)24-20(26)23-13-14-7-3-6-10-17(14)27-2/h3-12,18H,13H2,1-2H3,(H2,23,24,26)/t18-/m1/s1
InChIKeyLDXNYFXDFFURKO-GOSISDBHSA-N
XLogP3.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46889432
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CID 11047311
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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CID 11793946
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rac-1-[1-(3''-Methoxy-biphenyl-4-yl)-propyl]-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea (CID 38203555) is 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)N[C@H](c1ccccc1F)c1nccn1C.
What is the InChIKey of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is LDXNYFXDFFURKO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-25-12-11-22-19(25)18(15-8-4-5-9-16(15)21)24-20(26)23-13-14-7-3-6-10-17(14)27-2/h3-12,18H,13H2,1-2H3,(H2,23,24,26)/t18-/m1/s1.
What are the key properties of 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 368.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38203555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).