(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide

C18H19ClN4O — CID 124873986

IUPAC(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCn1ccnc1
InChIInChI=1S/C18H19ClN4O/c19-16-5-3-15(4-6-16)17(23-9-1-2-10-23)13-18(24)21-8-12-22-11-7-20-14-22/h1-7,9-11,14,17H,8,12-13H2,(H,21,24)/t17-/m1/s1
InChIKeyAMBVBYCVSAXZRT-QGZVFWFLSA-N
MW342.83 g/mol
LogP3.13
Rot. Bonds7

About (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide

(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide (PubChem CID 124873986) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
PubChem CID124873986
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCn1ccnc1
InChIInChI=1S/C18H19ClN4O/c19-16-5-3-15(4-6-16)17(23-9-1-2-10-23)13-18(24)21-8-12-22-11-7-20-14-22/h1-7,9-11,14,17H,8,12-13H2,(H,21,24)/t17-/m1/s1
InChIKeyAMBVBYCVSAXZRT-QGZVFWFLSA-N
XLogP3.13
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 47014475
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
(3S)-3-(4-chlorophenyl)-3-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 125432197
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
CID 125432558
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide (CID 124873986) is (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide is O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCn1ccnc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is AMBVBYCVSAXZRT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-16-5-3-15(4-6-16)17(23-9-1-2-10-23)13-18(24)21-8-12-22-11-7-20-14-22/h1-7,9-11,14,17H,8,12-13H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide?
(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 342.83 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 124873986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).