(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

C15H20N4O — CID 110692570

IUPAC(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1
InChIInChI=1S/C15H20N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-14-13(10-12)16-11-17(14)2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyFZCAOEZQWIASKC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.35
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 110692570) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
PubChem CID110692570
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1
InChIInChI=1S/C15H20N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-14-13(10-12)16-11-17(14)2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyFZCAOEZQWIASKC-UHFFFAOYSA-N
XLogP1.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 136547220
(2-ethylindazol-6-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53017468
[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
CID 134274078
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (CID 110692570) is (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is CCN1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is FZCAOEZQWIASKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-18-6-8-19(9-7-18)15(20)12-4-5-14-13(10-12)16-11-17(14)2/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 110692570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).