3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide

C12H11ClIN3O — CID 103736159

IUPAC3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H11ClIN3O/c1-17(7-11-15-4-5-16-11)12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyAXVLEPLMVFQWTE-UHFFFAOYSA-N
MW375.60 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide

3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide (PubChem CID 103736159) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
PubChem CID103736159
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C12H11ClIN3O/c1-17(7-11-15-4-5-16-11)12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyAXVLEPLMVFQWTE-UHFFFAOYSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-nitrobenzamide
CID 64519190
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
CID 63938687
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide (CID 103736159) is 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide?
The InChIKey is AXVLEPLMVFQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-17(7-11-15-4-5-16-11)12(18)8-2-3-10(14)9(13)6-8/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide?
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide has a molecular weight of 375.60 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 103736159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).