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

C19H19FN4O — CID 25358086

IUPAC1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C19H19FN4O/c1-13-3-9-16(10-4-13)22-19(25)23-17(18-21-11-12-24(18)2)14-5-7-15(20)8-6-14/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyPPGPHPMGLHUHCX-KRWDZBQOSA-N
MW338.39 g/mol
LogP3.78
Rot. Bonds4

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

1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 25358086) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID25358086
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C19H19FN4O/c1-13-3-9-16(10-4-13)22-19(25)23-17(18-21-11-12-24(18)2)14-5-7-15(20)8-6-14/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyPPGPHPMGLHUHCX-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-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
1-(2,4-difluorophenyl)-3-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390775
1-(2,4-difluorophenyl)-3-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390773
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
(2R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 25369016
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55521199
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea (CID 25358086) is 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1.
What is the InChIKey of 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is PPGPHPMGLHUHCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-3-9-16(10-4-13)22-19(25)23-17(18-21-11-12-24(18)2)14-5-7-15(20)8-6-14/h3-12,17H,1-2H3,(H2,22,23,25)/t17-/m0/s1.
What are the key properties of 1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea?
1-[(S)-(4-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)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 25358086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).