3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide

C19H21ClN4O — CID 110204989

IUPAC3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1ccc(Cl)cc1)n1cccc1)NCCCn1ccnc1
InChIInChI=1S/C19H21ClN4O/c20-17-6-4-16(5-7-17)18(24-11-1-2-12-24)14-19(25)22-8-3-10-23-13-9-21-15-23/h1-2,4-7,9,11-13,15,18H,3,8,10,14H2,(H,22,25)
InChIKeyUCLVJIIZCCACFA-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.52
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide

3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide (PubChem CID 110204989) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
PubChem CID110204989
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1ccc(Cl)cc1)n1cccc1)NCCCn1ccnc1
InChIInChI=1S/C19H21ClN4O/c20-17-6-4-16(5-7-17)18(24-11-1-2-12-24)14-19(25)22-8-3-10-23-13-9-21-15-23/h1-2,4-7,9,11-13,15,18H,3,8,10,14H2,(H,22,25)
InChIKeyUCLVJIIZCCACFA-UHFFFAOYSA-N
XLogP3.52
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
CID 124873986
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide (CID 110204989) is 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1ccc(Cl)cc1)n1cccc1)NCCCn1ccnc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is UCLVJIIZCCACFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-17-6-4-16(5-7-17)18(24-11-1-2-12-24)14-19(25)22-8-3-10-23-13-9-21-15-23/h1-2,4-7,9,11-13,15,18H,3,8,10,14H2,(H,22,25).
What are the key properties of 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide?
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 356.86 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 110204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).