1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea

C19H20FN5O — CID 171801368

IUPAC1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1
InChIInChI=1S/C19H20FN5O/c1-13(25-10-9-21-14(25)2)15-3-6-17(7-4-15)24-19(26)23-12-18-8-5-16(20)11-22-18/h3-11,13H,12H2,1-2H3,(H2,23,24,26)/t13-/m1/s1
InChIKeyNKBVLVZMVLCGDY-CYBMUJFWSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea

1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea (PubChem CID 171801368) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
PubChem CID171801368
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1
InChIInChI=1S/C19H20FN5O/c1-13(25-10-9-21-14(25)2)15-3-6-17(7-4-15)24-19(26)23-12-18-8-5-16(20)11-22-18/h3-11,13H,12H2,1-2H3,(H2,23,24,26)/t13-/m1/s1
InChIKeyNKBVLVZMVLCGDY-CYBMUJFWSA-N
XLogP3.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
CID 171801254
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
CID 171801089
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(5S)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]phenyl]urea
CID 171801366
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274
(1S,4R)-1-ethyl-N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-2-oxabicyclo[2.2.1]heptane-4-carboxamide
CID 171801410
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198
1-[4-(1-aminoethyl)phenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
CID 82875331

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea (CID 171801368) is 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea is Cc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(F)cn2)cc1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The InChIKey is NKBVLVZMVLCGDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13(25-10-9-21-14(25)2)15-3-6-17(7-4-15)24-19(26)23-12-18-8-5-16(20)11-22-18/h3-11,13H,12H2,1-2H3,(H2,23,24,26)/t13-/m1/s1.
What are the key properties of 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea is sourced from PubChem (CID 171801368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).