3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

C14H16ClN3O3 — CID 63928489

IUPAC3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(Cl)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-18(8-12-16-4-5-17-12)14(19)9-6-10(15)13(21-3)11(7-9)20-2/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeySJKNDPSPAPCVHD-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.35
Rot. Bonds5

About 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (PubChem CID 63928489) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
PubChem CID63928489
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(Cl)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-18(8-12-16-4-5-17-12)14(19)9-6-10(15)13(21-3)11(7-9)20-2/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeySJKNDPSPAPCVHD-UHFFFAOYSA-N
XLogP2.35
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-4,5-dimethoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 71856556
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126434509

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (CID 63928489) is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is SJKNDPSPAPCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-18(8-12-16-4-5-17-12)14(19)9-6-10(15)13(21-3)11(7-9)20-2/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 309.75 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 63928489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).