[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone

C20H20N4O2 — CID 10360375

IUPAC[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCN1CCN(C(=O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1
InChIInChI=1S/C20H20N4O2/c1-23-9-11-24(12-10-23)20(26)19-21-16-8-7-15(13-17(16)22-19)18(25)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22)
InChIKeyPSKWCTYZMXFVDK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.18
Rot. Bonds3

About [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone

[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 10360375) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID10360375
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCN1CCN(C(=O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1
InChIInChI=1S/C20H20N4O2/c1-23-9-11-24(12-10-23)20(26)19-21-16-8-7-15(13-17(16)22-19)18(25)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22)
InChIKeyPSKWCTYZMXFVDK-UHFFFAOYSA-N
XLogP2.18
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-phenyl-1H-benzimidazol-2-yl)methanone
CID 58646802
1H-imidazo[4,5-b]pyridin-2-yl-(4-methylpiperazin-1-yl)methanone
CID 10332110
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 66263156
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
(6-hydroxy-1H-benzimidazol-2-yl)-phenylmethanone
CID 13162244
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
(4,6-difluoro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 11778395

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone (CID 10360375) is [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone is CN1CCN(C(=O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1.
What is the InChIKey of [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is PSKWCTYZMXFVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-9-11-24(12-10-23)20(26)19-21-16-8-7-15(13-17(16)22-19)18(25)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone?
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 10360375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).