N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide

C14H17N3O — CID 63930376

IUPACN-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ncc[nH]2)c1C
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-12(11(10)2)14(18)17(3)9-13-15-7-8-16-13/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyNBKQRENZPSGJMU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide

N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide (PubChem CID 63930376) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
PubChem CID63930376
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ncc[nH]2)c1C
InChIInChI=1S/C14H17N3O/c1-10-5-4-6-12(11(10)2)14(18)17(3)9-13-15-7-8-16-13/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyNBKQRENZPSGJMU-UHFFFAOYSA-N
XLogP2.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 64512018
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115549162
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide (CID 63930376) is N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ncc[nH]2)c1C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide?
The InChIKey is NBKQRENZPSGJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-4-6-12(11(10)2)14(18)17(3)9-13-15-7-8-16-13/h4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide?
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide is sourced from PubChem (CID 63930376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).