[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

C18H25N5O — CID 126891939

IUPAC[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCCN1CCN(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)CC1
InChIInChI=1S/C18H25N5O/c1-3-21-6-8-22(9-7-21)15-11-23(12-15)18(24)14-4-5-16-17(10-14)20-13(2)19-16/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyPEFFUTRNCSPIGX-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.33
Rot. Bonds3

About [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 126891939) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID126891939
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCCN1CCN(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)CC1
InChIInChI=1S/C18H25N5O/c1-3-21-6-8-22(9-7-21)15-11-23(12-15)18(24)14-4-5-16-17(10-14)20-13(2)19-16/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyPEFFUTRNCSPIGX-UHFFFAOYSA-N
XLogP1.33
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,1,3-benzothiadiazol-5-yl-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891901
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 45170167
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (CID 126891939) is [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is CCN1CCN(C2CN(C(=O)c3ccc4nc(C)[nH]c4c3)C2)CC1.
What is the InChIKey of [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is PEFFUTRNCSPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-21-6-8-22(9-7-21)15-11-23(12-15)18(24)14-4-5-16-17(10-14)20-13(2)19-16/h4-5,10,15H,3,6-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 126891939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).