N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide

C13H18N4O — CID 82498230

IUPACN-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
SMILESCCc1nc2ccc(N(C)C(=O)CNC)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-4-12-15-10-6-5-9(7-11(10)16-12)17(3)13(18)8-14-2/h5-7,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyLKQUOUBUULMAHF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds4

About N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide

N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide (PubChem CID 82498230) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
PubChem CID82498230
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide
SMILESCCc1nc2ccc(N(C)C(=O)CNC)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-4-12-15-10-6-5-9(7-11(10)16-12)17(3)13(18)8-14-2/h5-7,14H,4,8H2,1-3H3,(H,15,16)
InChIKeyLKQUOUBUULMAHF-UHFFFAOYSA-N
XLogP1.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
N-ethyl-2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772768
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
N-[2-(2-ethoxypropan-2-yl)-3H-benzimidazol-5-yl]-N-methylacetamide;hydrate
CID 143022350
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-ethyl-6-[(2-ethyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 139799496
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
CID 18618377
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide (CID 82498230) is N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide is CCc1nc2ccc(N(C)C(=O)CNC)cc2[nH]1.
What is the InChIKey of N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
The InChIKey is LKQUOUBUULMAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-12-15-10-6-5-9(7-11(10)16-12)17(3)13(18)8-14-2/h5-7,14H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide?
N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3H-benzimidazol-5-yl)-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 82498230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).