N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

C20H26N4O2 — CID 29213987

IUPACN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)24-13-14(10-17(24)25)12-23(4)19(26)16-7-5-6-15(11-16)18-21-8-9-22-18/h5-9,11,14H,10,12-13H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyVHGGQGIAQSKZKR-CQSZACIVSA-N
MW354.45 g/mol
LogP2.80
Rot. Bonds4

About N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide

N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (PubChem CID 29213987) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
PubChem CID29213987
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C20H26N4O2/c1-20(2,3)24-13-14(10-17(24)25)12-23(4)19(26)16-7-5-6-15(11-16)18-21-8-9-22-18/h5-9,11,14H,10,12-13H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyVHGGQGIAQSKZKR-CQSZACIVSA-N
XLogP2.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide (CID 29213987) is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
The InChIKey is VHGGQGIAQSKZKR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,3)24-13-14(10-17(24)25)12-23(4)19(26)16-7-5-6-15(11-16)18-21-8-9-22-18/h5-9,11,14H,10,12-13H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide?
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 29213987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).