N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide

C14H16ClN3O — CID 144709444

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-2-14(19)17-9-13-16-6-7-18(13)10-11-4-3-5-12(15)8-11/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyGHKRDZZXYGXXNB-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.61
Rot. Bonds5

About N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide (PubChem CID 144709444) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
PubChem CID144709444
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-2-14(19)17-9-13-16-6-7-18(13)10-11-4-3-5-12(15)8-11/h3-8H,2,9-10H2,1H3,(H,17,19)
InChIKeyGHKRDZZXYGXXNB-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 166218702
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-[(1-benzylimidazol-2-yl)methyl]-3-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 109462831
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide (CID 144709444) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nccn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide?
The InChIKey is GHKRDZZXYGXXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-14(19)17-9-13-16-6-7-18(13)10-11-4-3-5-12(15)8-11/h3-8H,2,9-10H2,1H3,(H,17,19).
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide has a molecular weight of 277.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 144709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).