2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride

C14H17Cl2N3O2 — CID 146085855

IUPAC2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
SMILESCOc1cccc(-c2cnc(C(C)NC(=O)CCl)[nH]2)c1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-9(17-13(19)7-15)14-16-8-12(18-14)10-4-3-5-11(6-10)20-2;/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyPOQZRNNJOMDPCD-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.92
Rot. Bonds5

About 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride

2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride (PubChem CID 146085855) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
PubChem CID146085855
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
SMILESCOc1cccc(-c2cnc(C(C)NC(=O)CCl)[nH]2)c1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-9(17-13(19)7-15)14-16-8-12(18-14)10-4-3-5-11(6-10)20-2;/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyPOQZRNNJOMDPCD-UHFFFAOYSA-N
XLogP2.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 46943479
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
CID 155902159
(7S)-7-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-7-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]heptanoic acid
CID 87331847
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
(3R)-N-[(1S)-1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-7-oxooctyl]-1-methylpiperidine-3-carboxamide
CID 87331488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride (CID 146085855) is 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride is COc1cccc(-c2cnc(C(C)NC(=O)CCl)[nH]2)c1.Cl.
What is the InChIKey of 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride?
The InChIKey is POQZRNNJOMDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2.ClH/c1-9(17-13(19)7-15)14-16-8-12(18-14)10-4-3-5-11(6-10)20-2;/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride?
2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride has a molecular weight of 330.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 146085855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).