1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

C19H23FN6O — CID 167831788

IUPAC1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C19H23FN6O/c1-13-15(12-23-25-13)6-4-8-22-19(27)24-17(18-21-9-10-26(18)2)14-5-3-7-16(20)11-14/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,23,25)(H2,22,24,27)
InChIKeyUVFRNOBLPXAUNI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.61
Rot. Bonds7

About 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea

1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (PubChem CID 167831788) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
PubChem CID167831788
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
SMILESCc1[nH]ncc1CCCNC(=O)NC(c1cccc(F)c1)c1nccn1C
InChIInChI=1S/C19H23FN6O/c1-13-15(12-23-25-13)6-4-8-22-19(27)24-17(18-21-9-10-26(18)2)14-5-3-7-16(20)11-14/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,23,25)(H2,22,24,27)
InChIKeyUVFRNOBLPXAUNI-UHFFFAOYSA-N
XLogP2.61
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-phenylbutyl)urea
CID 42954379
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 51936776
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38202466
1-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 51936762
1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
CID 55746377
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-methoxypropyl)urea
CID 94055737
1-[[4-(ethoxymethyl)phenyl]methyl]-3-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597992
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
CID 96516387
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
1-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-hydroxycyclohexyl)urea
CID 94149785

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea (CID 167831788) is 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is Cc1[nH]ncc1CCCNC(=O)NC(c1cccc(F)c1)c1nccn1C.
What is the InChIKey of 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
The InChIKey is UVFRNOBLPXAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-13-15(12-23-25-13)6-4-8-22-19(27)24-17(18-21-9-10-26(18)2)14-5-3-7-16(20)11-14/h3,5,7,9-12,17H,4,6,8H2,1-2H3,(H,23,25)(H2,22,24,27).
What are the key properties of 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea?
1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea has a molecular weight of 370.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea is sourced from PubChem (CID 167831788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).