2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

C20H26N4O — CID 71884444

IUPAC2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC1C1CCCC1
InChIInChI=1S/C20H26N4O/c25-20(24-12-3-6-19(24)17-4-1-2-5-17)22-14-16-7-9-18(10-8-16)23-13-11-21-15-23/h7-11,13,15,17,19H,1-6,12,14H2,(H,22,25)
InChIKeyRZPOTUWLHAZAED-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds4

About 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71884444) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID71884444
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC1C1CCCC1
InChIInChI=1S/C20H26N4O/c25-20(24-12-3-6-19(24)17-4-1-2-5-17)22-14-16-7-9-18(10-8-16)23-13-11-21-15-23/h7-11,13,15,17,19H,1-6,12,14H2,(H,22,25)
InChIKeyRZPOTUWLHAZAED-UHFFFAOYSA-N
XLogP3.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166197984
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
1-(benzenesulfonyl)-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 100645070
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
(3S)-N-[(4-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 30392383
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
3-[(4-imidazol-1-ylphenyl)methylamino]azepan-2-one
CID 43782037
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
1-(4-chlorophenyl)sulfonyl-N-[(4-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30395373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (CID 71884444) is 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RZPOTUWLHAZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(24-12-3-6-19(24)17-4-1-2-5-17)22-14-16-7-9-18(10-8-16)23-13-11-21-15-23/h7-11,13,15,17,19H,1-6,12,14H2,(H,22,25).
What are the key properties of 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71884444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).