N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide

C20H18N4O — CID 162635076

IUPACN-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2ccccn12
InChIInChI=1S/C20H18N4O/c25-20(19-10-9-17-8-4-5-12-24(17)19)22-18(14-23-13-11-21-15-23)16-6-2-1-3-7-16/h1-13,15,18H,14H2,(H,22,25)
InChIKeyGVRMZKINXKWKGC-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.31
Rot. Bonds5

About N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide (PubChem CID 162635076) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
PubChem CID162635076
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
SMILESO=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2ccccn12
InChIInChI=1S/C20H18N4O/c25-20(19-10-9-17-8-4-5-12-24(17)19)22-18(14-23-13-11-21-15-23)16-6-2-1-3-7-16/h1-13,15,18H,14H2,(H,22,25)
InChIKeyGVRMZKINXKWKGC-UHFFFAOYSA-N
XLogP3.31
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)oxolane-2-carboxamide
CID 45178755
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50982007
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
1-(4-aminocyclohexyl)-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole-4-carboxamide
CID 98256590

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide (CID 162635076) is N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide is O=C(NC(Cn1ccnc1)c1ccccc1)c1ccc2ccccn12.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide?
The InChIKey is GVRMZKINXKWKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(19-10-9-17-8-4-5-12-24(17)19)22-18(14-23-13-11-21-15-23)16-6-2-1-3-7-16/h1-13,15,18H,14H2,(H,22,25).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide is sourced from PubChem (CID 162635076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).