2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C22H25N3O — CID 43063887

IUPAC2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1cnc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O/c1-15(18-12-11-17-7-3-4-8-19(17)13-18)24-22(26)16(2)25-14-23-20-9-5-6-10-21(20)25/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeySQSNXNQKCDKMBO-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.35
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 43063887) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
PubChem CID43063887
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)n1cnc2ccccc21)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O/c1-15(18-12-11-17-7-3-4-8-19(17)13-18)24-22(26)16(2)25-14-23-20-9-5-6-10-21(20)25/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeySQSNXNQKCDKMBO-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
2-(benzimidazol-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855843
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
(2S)-2-(benzimidazol-1-yl)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142230
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 43063887) is 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is CC(NC(=O)C(C)n1cnc2ccccc21)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
The InChIKey is SQSNXNQKCDKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(18-12-11-17-7-3-4-8-19(17)13-18)24-22(26)16(2)25-14-23-20-9-5-6-10-21(20)25/h5-6,9-16H,3-4,7-8H2,1-2H3,(H,24,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?
2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 43063887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).