N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C23H25N3O — CID 134039749

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H25N3O/c27-23(21-11-10-19-8-4-5-9-20(19)16-21)25-13-12-22-24-14-15-26(22)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13,17H2,(H,25,27)
InChIKeyIJJGRJFANYZYOC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 134039749) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID134039749
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H25N3O/c27-23(21-11-10-19-8-4-5-9-20(19)16-21)25-13-12-22-24-14-15-26(22)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13,17H2,(H,25,27)
InChIKeyIJJGRJFANYZYOC-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86839804
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 134039749) is N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NCCc1nccn1Cc1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is IJJGRJFANYZYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(21-11-10-19-8-4-5-9-20(19)16-21)25-13-12-22-24-14-15-26(22)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14-16H,4-5,8-9,12-13,17H2,(H,25,27).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 134039749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).