(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide

C16H19N5O2 — CID 94658479

IUPAC(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C16H19N5O2/c17-15(22)13-5-7-20(10-13)16(23)19-9-12-3-1-2-4-14(12)21-8-6-18-11-21/h1-4,6,8,11,13H,5,7,9-10H2,(H2,17,22)(H,19,23)/t13-/m1/s1
InChIKeyUQEDWCBPOCCNGW-CYBMUJFWSA-N
MW313.36 g/mol
LogP0.89
Rot. Bonds4

About (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94658479) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94658479
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C16H19N5O2/c17-15(22)13-5-7-20(10-13)16(23)19-9-12-3-1-2-4-14(12)21-8-6-18-11-21/h1-4,6,8,11,13H,5,7,9-10H2,(H2,17,22)(H,19,23)/t13-/m1/s1
InChIKeyUQEDWCBPOCCNGW-CYBMUJFWSA-N
XLogP0.89
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 56820950
1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 91841223
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60576964
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
ethyl 1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110995019
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
4-(2-fluorophenyl)sulfonyl-N-[(2-imidazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 60580721
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 94658479) is (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)NCc2ccccc2-n2ccnc2)C1.
What is the InChIKey of (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is UQEDWCBPOCCNGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-15(22)13-5-7-20(10-13)16(23)19-9-12-3-1-2-4-14(12)21-8-6-18-11-21/h1-4,6,8,11,13H,5,7,9-10H2,(H2,17,22)(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94658479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).