N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C12H19N3O — CID 116626532

IUPACN,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCc1nc2c(n1CC(=O)N(C)C)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-13-10-6-4-5-7-11(10)15(9)8-12(16)14(2)3/h4-8H2,1-3H3
InChIKeyJBIKAELPPSRLPS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.16
Rot. Bonds2

About N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 116626532) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID116626532
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESCc1nc2c(n1CC(=O)N(C)C)CCCC2
InChIInChI=1S/C12H19N3O/c1-9-13-10-6-4-5-7-11(10)15(9)8-12(16)14(2)3/h4-8H2,1-3H3
InChIKeyJBIKAELPPSRLPS-UHFFFAOYSA-N
XLogP1.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 116626532) is N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is Cc1nc2c(n1CC(=O)N(C)C)CCCC2.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is JBIKAELPPSRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-13-10-6-4-5-7-11(10)15(9)8-12(16)14(2)3/h4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 116626532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).