1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

C16H17Cl2N3O — CID 95309733

IUPAC1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c17-13-4-3-12(10-14(13)18)15-2-1-7-21(15)16(22)5-8-20-9-6-19-11-20/h3-4,6,9-11,15H,1-2,5,7-8H2/t15-/m1/s1
InChIKeyWZJDFXPGUOOKPA-OAHLLOKOSA-N
MW338.24 g/mol
LogP3.94
Rot. Bonds4

About 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 95309733) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID95309733
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c17-13-4-3-12(10-14(13)18)15-2-1-7-21(15)16(22)5-8-20-9-6-19-11-20/h3-4,6,9-11,15H,1-2,5,7-8H2/t15-/m1/s1
InChIKeyWZJDFXPGUOOKPA-OAHLLOKOSA-N
XLogP3.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56819392
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-(ethylamino)propan-1-one
CID 62834949
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
CID 60963537
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
3-cyclopentylsulfonyl-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]propan-1-one
CID 71889361
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721721
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 95309733) is 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is WZJDFXPGUOOKPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c17-13-4-3-12(10-14(13)18)15-2-1-7-21(15)16(22)5-8-20-9-6-19-11-20/h3-4,6,9-11,15H,1-2,5,7-8H2/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 338.24 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 95309733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).