(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C20H26N4O — CID 154563740

IUPAC(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccc(-n3ccnc3C)cc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H26N4O/c1-3-20(12-16-6-9-18(20)23-16)19(25)22-13-15-4-7-17(8-5-15)24-11-10-21-14(24)2/h4-5,7-8,10-11,16,18,23H,3,6,9,12-13H2,1-2H3,(H,22,25)/t16-,18+,20+/m0/s1
InChIKeyGTXGALDLEFVYGW-ILZDJORESA-N
MW338.46 g/mol
LogP2.72
Rot. Bonds5

About (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154563740) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154563740
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@]1(C(=O)NCc2ccc(-n3ccnc3C)cc2)C[C@@H]2CC[C@H]1N2
InChIInChI=1S/C20H26N4O/c1-3-20(12-16-6-9-18(20)23-16)19(25)22-13-15-4-7-17(8-5-15)24-11-10-21-14(24)2/h4-5,7-8,10-11,16,18,23H,3,6,9,12-13H2,1-2H3,(H,22,25)/t16-,18+,20+/m0/s1
InChIKeyGTXGALDLEFVYGW-ILZDJORESA-N
XLogP2.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide 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

(1S,2S,4R)-2-ethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154821685
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72937129
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125441211
1-ethylsulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50945213
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99948662
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 133168237
(2S)-2-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 131915667

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 154563740) is (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC[C@@]1(C(=O)NCc2ccc(-n3ccnc3C)cc2)C[C@@H]2CC[C@H]1N2.
What is the InChIKey of (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GTXGALDLEFVYGW-ILZDJORESA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-20(12-16-6-9-18(20)23-16)19(25)22-13-15-4-7-17(8-5-15)24-11-10-21-14(24)2/h4-5,7-8,10-11,16,18,23H,3,6,9,12-13H2,1-2H3,(H,22,25)/t16-,18+,20+/m0/s1.
What are the key properties of (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-ethyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).