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

C22H23FN4O — CID 42954354

IUPAC1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCn1ccnc1C(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-27-14-13-24-20(27)19(16-7-9-18(23)10-8-16)26-21(28)25-15-22(11-12-22)17-5-3-2-4-6-17/h2-10,13-14,19H,11-12,15H2,1H3,(H2,25,26,28)
InChIKeyZHTXULFPUIZFFA-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.68
Rot. Bonds6

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

1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 42954354) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID42954354
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCn1ccnc1C(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN4O/c1-27-14-13-24-20(27)19(16-7-9-18(23)10-8-16)26-21(28)25-15-22(11-12-22)17-5-3-2-4-6-17/h2-10,13-14,19H,11-12,15H2,1H3,(H2,25,26,28)
InChIKeyZHTXULFPUIZFFA-UHFFFAOYSA-N
XLogP3.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 94055737
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-ylurea
CID 24616480
(2S)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylsulfanylpropanamide
CID 25344752
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 95127820
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 25339759
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea (CID 42954354) is 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea is Cn1ccnc1C(NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is ZHTXULFPUIZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-27-14-13-24-20(27)19(16-7-9-18(23)10-8-16)26-21(28)25-15-22(11-12-22)17-5-3-2-4-6-17/h2-10,13-14,19H,11-12,15H2,1H3,(H2,25,26,28).
What are the key properties of 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea?
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 378.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 42954354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).