4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide

C20H28N4O — CID 167817944

IUPAC4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESCn1cncc1CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-9-10-24(12-17)13-18-11-21-14-23(18)4/h5-8,11,14,17H,9-10,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyRGOTUNAYRWPOEK-QGZVFWFLSA-N
MW340.47 g/mol
LogP2.72
Rot. Bonds4

About 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide

4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 167817944) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID167817944
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
SMILESCn1cncc1CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-9-10-24(12-17)13-18-11-21-14-23(18)4/h5-8,11,14,17H,9-10,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1
InChIKeyRGOTUNAYRWPOEK-QGZVFWFLSA-N
XLogP2.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
CID 166339786
3-chloro-2-fluoro-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]benzamide
CID 166287232
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
tert-butyl N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-3-yl]carbamate
CID 126818578
1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 98895536
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
1-[(3-methylimidazol-4-yl)methyl]azetidin-3-ol
CID 66141587
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide (CID 167817944) is 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide is Cn1cncc1CN1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is RGOTUNAYRWPOEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)16-7-5-15(6-8-16)19(25)22-17-9-10-24(12-17)13-18-11-21-14-23(18)4/h5-8,11,14,17H,9-10,12-13H2,1-4H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide?
4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 167817944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).