1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

C19H24FN5O — CID 125437107

IUPAC1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1nccn1C
InChIInChI=1S/C19H24FN5O/c1-12(2)17(18-21-7-8-24(18)3)23-19(26)25(4)11-15-10-13-9-14(20)5-6-16(13)22-15/h5-10,12,17,22H,11H2,1-4H3,(H,23,26)/t17-/m1/s1
InChIKeyOARZKWJUDAEBDJ-QGZVFWFLSA-N
MW357.43 g/mol
LogP3.58
Rot. Bonds5

About 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 125437107) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
PubChem CID125437107
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1nccn1C
InChIInChI=1S/C19H24FN5O/c1-12(2)17(18-21-7-8-24(18)3)23-19(26)25(4)11-15-10-13-9-14(20)5-6-16(13)22-15/h5-10,12,17,22H,11H2,1-4H3,(H,23,26)/t17-/m1/s1
InChIKeyOARZKWJUDAEBDJ-QGZVFWFLSA-N
XLogP3.58
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 125437107) is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The canonical SMILES for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1nccn1C.
What is the InChIKey of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
The InChIKey is OARZKWJUDAEBDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-12(2)17(18-21-7-8-24(18)3)23-19(26)25(4)11-15-10-13-9-14(20)5-6-16(13)22-15/h5-10,12,17,22H,11H2,1-4H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?
1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 357.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 125437107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).