2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide

C18H22N6O — CID 110121943

IUPAC2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(CN)c2)n1
InChIInChI=1S/C18H22N6O/c1-13-9-14(2)24(22-13)8-7-20-18(25)16-5-3-4-6-17(16)23-11-15(10-19)21-12-23/h3-6,9,11-12H,7-8,10,19H2,1-2H3,(H,20,25)
InChIKeyBNUIZCHRGGPHRN-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.57
Rot. Bonds6

About 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide

2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (PubChem CID 110121943) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
PubChem CID110121943
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(CN)c2)n1
InChIInChI=1S/C18H22N6O/c1-13-9-14(2)24(22-13)8-7-20-18(25)16-5-3-4-6-17(16)23-11-15(10-19)21-12-23/h3-6,9,11-12H,7-8,10,19H2,1-2H3,(H,20,25)
InChIKeyBNUIZCHRGGPHRN-UHFFFAOYSA-N
XLogP1.57
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-[4-(aminomethyl)imidazol-1-yl]-N-(cyclopropylmethyl)benzamide
CID 110121898
2-[4-(aminomethyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 110121933
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 110121932
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide (CID 110121943) is 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is Cc1cc(C)n(CCNC(=O)c2ccccc2-n2cnc(CN)c2)n1.
What is the InChIKey of 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is BNUIZCHRGGPHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-9-14(2)24(22-13)8-7-20-18(25)16-5-3-4-6-17(16)23-11-15(10-19)21-12-23/h3-6,9,11-12H,7-8,10,19H2,1-2H3,(H,20,25).
What are the key properties of 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide?
2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 338.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110121943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).