N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

C18H21N5O — CID 136561565

IUPACN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc(C)[nH]c3C)cc2)n1
InChIInChI=1S/C18H21N5O/c1-11-9-12(2)23(22-11)16-7-5-15(6-8-16)18(24)19-10-17-13(3)20-14(4)21-17/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyUHBZLRNWEJNGQC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.76
Rot. Bonds4

About N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 136561565) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID136561565
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3nc(C)[nH]c3C)cc2)n1
InChIInChI=1S/C18H21N5O/c1-11-9-12(2)23(22-11)16-7-5-15(6-8-16)18(24)19-10-17-13(3)20-14(4)21-17/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyUHBZLRNWEJNGQC-UHFFFAOYSA-N
XLogP2.76
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
N-(1,3-benzoxazol-2-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70717506
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70740816
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
CID 91832695
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 136561565) is N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3nc(C)[nH]c3C)cc2)n1.
What is the InChIKey of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is UHBZLRNWEJNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-9-12(2)23(22-11)16-7-5-15(6-8-16)18(24)19-10-17-13(3)20-14(4)21-17/h5-9H,10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 136561565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).