3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide

C16H24N4O — CID 91839392

IUPAC3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCc1cc2nc(CN(C)CCC(=O)N(C)C)[nH]c2cc1C
InChIInChI=1S/C16H24N4O/c1-11-8-13-14(9-12(11)2)18-15(17-13)10-20(5)7-6-16(21)19(3)4/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyWRJNRCOLEPHGLK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds5

About 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide

3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 91839392) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID91839392
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCc1cc2nc(CN(C)CCC(=O)N(C)C)[nH]c2cc1C
InChIInChI=1S/C16H24N4O/c1-11-8-13-14(9-12(11)2)18-15(17-13)10-20(5)7-6-16(21)19(3)4/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyWRJNRCOLEPHGLK-UHFFFAOYSA-N
XLogP2.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide (CID 91839392) is 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide is Cc1cc2nc(CN(C)CCC(=O)N(C)C)[nH]c2cc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is WRJNRCOLEPHGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-8-13-14(9-12(11)2)18-15(17-13)10-20(5)7-6-16(21)19(3)4/h8-9H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide?
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 91839392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).