1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

C17H20FN5O — CID 56791805

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H20FN5O/c1-12(10-23-7-6-19-11-23)22-17(24)20-5-4-13-9-21-16-3-2-14(18)8-15(13)16/h2-3,6-9,11-12,21H,4-5,10H2,1H3,(H2,20,22,24)
InChIKeyUGNNVOXJXGBXGB-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (PubChem CID 56791805) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
PubChem CID56791805
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1ccnc1)NC(=O)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H20FN5O/c1-12(10-23-7-6-19-11-23)22-17(24)20-5-4-13-9-21-16-3-2-14(18)8-15(13)16/h2-3,6-9,11-12,21H,4-5,10H2,1H3,(H2,20,22,24)
InChIKeyUGNNVOXJXGBXGB-UHFFFAOYSA-N
XLogP2.43
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111972685
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
CID 124743065
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 86880894
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96524278
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96524279
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119958004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea (CID 56791805) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is CC(Cn1ccnc1)NC(=O)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
The InChIKey is UGNNVOXJXGBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-12(10-23-7-6-19-11-23)22-17(24)20-5-4-13-9-21-16-3-2-14(18)8-15(13)16/h2-3,6-9,11-12,21H,4-5,10H2,1H3,(H2,20,22,24).
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea has a molecular weight of 329.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 56791805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).