1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride

C18H18ClF2N3O — CID 18469991

IUPAC1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
SMILESCl.O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O.ClH/c19-15-7-4-13(11-16(15)20)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18;/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23);1H
InChIKeyDRGIHIJTLSYJRT-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.57
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride

1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride (PubChem CID 18469991) has the molecular formula C18H18ClF2N3O and a molecular weight of 365.81 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
PubChem CID18469991
Molecular FormulaC18H18ClF2N3O
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
SMILESCl.O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O.ClH/c19-15-7-4-13(11-16(15)20)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18;/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23);1H
InChIKeyDRGIHIJTLSYJRT-UHFFFAOYSA-N
XLogP3.57
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride with MolForge

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Related Compounds

DNA crosslinker 6
CID 24800508
bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methanone
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CID 122189111
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CID 24800161
[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-phenylmethanone;hydrochloride
CID 24800857
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride (CID 18469991) is 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride is Cl.O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride?
The InChIKey is DRGIHIJTLSYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O.ClH/c19-15-7-4-13(11-16(15)20)17(24)8-3-12-1-5-14(6-2-12)23-18-21-9-10-22-18;/h1-2,4-7,11H,3,8-10H2,(H2,21,22,23);1H.
What are the key properties of 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride?
1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride has a molecular weight of 365.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 18469991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).