1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea

C19H19FN4O — CID 41430481

IUPAC1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1
InChIInChI=1S/C19H19FN4O/c1-13-7-9-14(10-8-13)22-19(25)23-17(18-21-11-12-24(18)2)15-5-3-4-6-16(15)20/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyLRCPKUGVGDXFKJ-KRWDZBQOSA-N
MW338.39 g/mol
LogP3.78
Rot. Bonds4

About 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea

1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 41430481) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID41430481
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1
InChIInChI=1S/C19H19FN4O/c1-13-7-9-14(10-8-13)22-19(25)23-17(18-21-11-12-24(18)2)15-5-3-4-6-16(15)20/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyLRCPKUGVGDXFKJ-KRWDZBQOSA-N
XLogP3.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
1-(2,4-difluorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430485
N-[3-[[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]propyl]acetamide
CID 36973030
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2S)-4-phenylbutan-2-yl]urea
CID 36508070
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
1-[2-(4-chlorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36505789
3-amino-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide;dihydrochloride
CID 119837361
(Z)-3-(2,6-difluorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232727

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (CID 41430481) is 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1.
What is the InChIKey of 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is LRCPKUGVGDXFKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-7-9-14(10-8-13)22-19(25)23-17(18-21-11-12-24(18)2)15-5-3-4-6-16(15)20/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1.
What are the key properties of 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 338.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 41430481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).