2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide

C19H25N5O2 — CID 90649076

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
SMILESCOc1ccc2nc(CCN(C)C(=O)C(C)n3nc(C)cc3C)[nH]c2c1
InChIInChI=1S/C19H25N5O2/c1-12-10-13(2)24(22-12)14(3)19(25)23(4)9-8-18-20-16-7-6-15(26-5)11-17(16)21-18/h6-7,10-11,14H,8-9H2,1-5H3,(H,20,21)
InChIKeyUINFOBATJOKLDC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.65
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide (PubChem CID 90649076) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
PubChem CID90649076
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
SMILESCOc1ccc2nc(CCN(C)C(=O)C(C)n3nc(C)cc3C)[nH]c2c1
InChIInChI=1S/C19H25N5O2/c1-12-10-13(2)24(22-12)14(3)19(25)23(4)9-8-18-20-16-7-6-15(26-5)11-17(16)21-18/h6-7,10-11,14H,8-9H2,1-5H3,(H,20,21)
InChIKeyUINFOBATJOKLDC-UHFFFAOYSA-N
XLogP2.65
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
CID 125442242
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
CID 131947626
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propanamide
CID 124842337
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
(2S)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(tetrazol-1-yl)propanamide
CID 118760636
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95202696
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide (CID 90649076) is 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide is COc1ccc2nc(CCN(C)C(=O)C(C)n3nc(C)cc3C)[nH]c2c1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide?
The InChIKey is UINFOBATJOKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-10-13(2)24(22-12)14(3)19(25)23(4)9-8-18-20-16-7-6-15(26-5)11-17(16)21-18/h6-7,10-11,14H,8-9H2,1-5H3,(H,20,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 90649076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).