N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide

C17H19N5O — CID 56866793

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)cn1
InChIInChI=1S/C17H19N5O/c1-5-22-9-13(8-18-22)17(23)21(4)10-16-19-14-6-11(2)12(3)7-15(14)20-16/h5-9H,1,10H2,2-4H3,(H,19,20)
InChIKeyHWHQUXZQXKRCKA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds4

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide (PubChem CID 56866793) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide
PubChem CID56866793
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide
SMILESC=Cn1cc(C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)cn1
InChIInChI=1S/C17H19N5O/c1-5-22-9-13(8-18-22)17(23)21(4)10-16-19-14-6-11(2)12(3)7-15(14)20-16/h5-9H,1,10H2,2-4H3,(H,19,20)
InChIKeyHWHQUXZQXKRCKA-UHFFFAOYSA-N
XLogP2.75
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 91839392
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[2-(1-methylpyrrol-2-yl)ethyl]urea;formic acid
CID 154910515
1-[2-(dimethylamino)ethyl]-3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethylurea
CID 121496596
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 125442968
N,1,4,6-tetramethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 50974880
1-ethenyl-N-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrazole-4-carboxamide
CID 95402859
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 82336665
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 82337295
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 42096470
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72922696

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide (CID 56866793) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide is C=Cn1cc(C(=O)N(C)Cc2nc3cc(C)c(C)cc3[nH]2)cn1.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide?
The InChIKey is HWHQUXZQXKRCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-5-22-9-13(8-18-22)17(23)21(4)10-16-19-14-6-11(2)12(3)7-15(14)20-16/h5-9H,1,10H2,2-4H3,(H,19,20).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-ethenyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56866793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).