(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

C15H24N4O — CID 90640322

IUPAC(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)C2CCc3nc(C)[nH]c3C2)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-13-14(10-12)17-11(2)16-13/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyINQZYRJTIFKESX-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.99
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone

(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (PubChem CID 90640322) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
PubChem CID90640322
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)C2CCc3nc(C)[nH]c3C2)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-13-14(10-12)17-11(2)16-13/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyINQZYRJTIFKESX-UHFFFAOYSA-N
XLogP0.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone with MolForge

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Related Compounds

(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 90640304
N-(2-chlorophenyl)-2-[4-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)piperazin-1-yl]acetamide
CID 75452018
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
CID 10703139
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(5S)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
CID 99717039
2-methyl-N-propyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640337
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640278
N-(3-hydroxypropyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640349
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
N-benzyl-2-methyl-N-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640295
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628447
2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640382
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone (CID 90640322) is (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is CCN1CCN(C(=O)C2CCc3nc(C)[nH]c3C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
The InChIKey is INQZYRJTIFKESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-13-14(10-12)17-11(2)16-13/h12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone?
(4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 90640322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).