1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C19H18F2N4O2 — CID 95320057

IUPAC1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)Nn1cnc2ccccc21
InChIInChI=1S/C19H18F2N4O2/c20-18(21)27-13-8-9-14-12(10-13)4-3-6-15(14)23-19(26)24-25-11-22-16-5-1-2-7-17(16)25/h1-2,5,7-11,15,18H,3-4,6H2,(H2,23,24,26)/t15-/m0/s1
InChIKeyXTZQDUGKJQOMFZ-HNNXBMFYSA-N
MW372.38 g/mol
LogP3.97
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 95320057) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID95320057
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESO=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)Nn1cnc2ccccc21
InChIInChI=1S/C19H18F2N4O2/c20-18(21)27-13-8-9-14-12(10-13)4-3-6-15(14)23-19(26)24-25-11-22-16-5-1-2-7-17(16)25/h1-2,5,7-11,15,18H,3-4,6H2,(H2,23,24,26)/t15-/m0/s1
InChIKeyXTZQDUGKJQOMFZ-HNNXBMFYSA-N
XLogP3.97
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-1-carboxamide
CID 60603541
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 56800355
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
2-chloro-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 94866345
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 119310235
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86872906
(2R)-2-[[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylacetamide
CID 94808904

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 95320057) is 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)Nn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is XTZQDUGKJQOMFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-18(21)27-13-8-9-14-12(10-13)4-3-6-15(14)23-19(26)24-25-11-22-16-5-1-2-7-17(16)25/h1-2,5,7-11,15,18H,3-4,6H2,(H2,23,24,26)/t15-/m0/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 372.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 95320057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).