N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide

C15H19N3O — CID 56740870

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-3-4-12-5-7-13(8-6-12)15(19)18(2)11-14-16-9-10-17-14/h5-10H,3-4,11H2,1-2H3,(H,16,17)
InChIKeyQJKCZKGUWCHSGT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.63
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide (PubChem CID 56740870) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
PubChem CID56740870
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C15H19N3O/c1-3-4-12-5-7-13(8-6-12)15(19)18(2)11-14-16-9-10-17-14/h5-10H,3-4,11H2,1-2H3,(H,16,17)
InChIKeyQJKCZKGUWCHSGT-UHFFFAOYSA-N
XLogP2.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
3-(4-ethylphenyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63929732
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
N-(1H-imidazol-2-ylmethyl)-4-(methanesulfonamido)-N-methylbenzamide
CID 63938687
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
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
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide (CID 56740870) is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide is CCCc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide?
The InChIKey is QJKCZKGUWCHSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-12-5-7-13(8-6-12)15(19)18(2)11-14-16-9-10-17-14/h5-10H,3-4,11H2,1-2H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.63, 5 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-methyl-4-propylbenzamide is sourced from PubChem (CID 56740870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).