N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide

C14H16ClN3O — CID 51134395

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-10-4-6-11(7-5-10)14(19)17-9-13-16-8-12(15)18(13)2/h4-8H,3,9H2,1-2H3,(H,17,19)
InChIKeyPXEUSYKKKDGUGU-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.57
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide (PubChem CID 51134395) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
PubChem CID51134395
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ncc(Cl)n2C)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-10-4-6-11(7-5-10)14(19)17-9-13-16-8-12(15)18(13)2/h4-8H,3,9H2,1-2H3,(H,17,19)
InChIKeyPXEUSYKKKDGUGU-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
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4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzamide
CID 43088035
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
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4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
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N-[(4-bromophenyl)methyl]-4-ethylbenzamide
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N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
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N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
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N-(2-chloroprop-2-enyl)-4-ethylbenzamide
CID 115636471

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide (CID 51134395) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ncc(Cl)n2C)cc1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide?
The InChIKey is PXEUSYKKKDGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-10-4-6-11(7-5-10)14(19)17-9-13-16-8-12(15)18(13)2/h4-8H,3,9H2,1-2H3,(H,17,19).
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide has a molecular weight of 277.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 51134395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).