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

C18H16ClFN4O — CID 41430470

IUPAC1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-24-11-10-21-17(24)16(12-6-8-13(19)9-7-12)23-18(25)22-15-5-3-2-4-14(15)20/h2-11,16H,1H3,(H2,22,23,25)/t16-/m0/s1
InChIKeyPGSXHJUANHQBDK-INIZCTEOSA-N
MW358.80 g/mol
LogP4.12
Rot. Bonds4

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

1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea (PubChem CID 41430470) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
PubChem CID41430470
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
SMILESCn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN4O/c1-24-11-10-21-17(24)16(12-6-8-13(19)9-7-12)23-18(25)22-15-5-3-2-4-14(15)20/h2-11,16H,1H3,(H2,22,23,25)/t16-/m0/s1
InChIKeyPGSXHJUANHQBDK-INIZCTEOSA-N
XLogP4.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
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-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
1-(2,4-difluorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430485
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25405660

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea (CID 41430470) is 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea is Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea?
The InChIKey is PGSXHJUANHQBDK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-24-11-10-21-17(24)16(12-6-8-13(19)9-7-12)23-18(25)22-15-5-3-2-4-14(15)20/h2-11,16H,1H3,(H2,22,23,25)/t16-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea?
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea has a molecular weight of 358.80 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 41430470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).