2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide

C13H14ClN3O — CID 106509738

IUPAC2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-10(11(14)7-9)13(18)17(2)8-12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyPHXLTMPOBHXHMT-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide

2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide (PubChem CID 106509738) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
PubChem CID106509738
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-10(11(14)7-9)13(18)17(2)8-12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyPHXLTMPOBHXHMT-UHFFFAOYSA-N
XLogP2.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
3-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 64516802
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The IUPAC name of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide (CID 106509738) is 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide?
The InChIKey is PHXLTMPOBHXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-3-4-10(11(14)7-9)13(18)17(2)8-12-15-5-6-16-12/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide?
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide has a molecular weight of 263.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide is sourced from PubChem (CID 106509738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).