N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide

C16H21N3O2 — CID 63940992

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)11-21-14-6-4-13(5-7-14)16(20)19(3)10-15-17-8-9-18-15/h4-9,12H,10-11H2,1-3H3,(H,17,18)
InChIKeyBCLGVXHZGZDLMH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.72
Rot. Bonds6

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

N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 63940992) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID63940992
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)11-21-14-6-4-13(5-7-14)16(20)19(3)10-15-17-8-9-18-15/h4-9,12H,10-11H2,1-3H3,(H,17,18)
InChIKeyBCLGVXHZGZDLMH-UHFFFAOYSA-N
XLogP2.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
2-[methyl-[4-(2-methylpropoxy)benzoyl]amino]acetic acid
CID 43239741
N-methyl-4-(2-methylpropoxy)-N-(2-pyridin-4-ylethyl)benzamide
CID 110440864
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
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
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-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 64512089
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide (CID 63940992) is N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is BCLGVXHZGZDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)11-21-14-6-4-13(5-7-14)16(20)19(3)10-15-17-8-9-18-15/h4-9,12H,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 63940992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).