3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one

C15H20N4O — CID 154735503

IUPAC3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1
InChIInChI=1S/C15H20N4O/c1-11-10-19(9-8-16-11)15(20)7-6-14-17-12-4-2-3-5-13(12)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18)
InChIKeyUVZVQWDYMJBLRU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.32
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one

3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 154735503) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID154735503
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1
InChIInChI=1S/C15H20N4O/c1-11-10-19(9-8-16-11)15(20)7-6-14-17-12-4-2-3-5-13(12)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18)
InChIKeyUVZVQWDYMJBLRU-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
4-(1H-benzimidazol-2-yl)-1-(2-methylmorpholin-4-yl)butan-1-one
CID 46411383
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 72937446
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
3-(1H-benzimidazol-2-yl)-1-[4-(5-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-1-one
CID 154568485
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-3-(1H-benzimidazol-2-yl)propan-1-one
CID 135108100
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one (CID 154735503) is 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)CCc2nc3ccccc3[nH]2)CCN1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is UVZVQWDYMJBLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-10-19(9-8-16-11)15(20)7-6-14-17-12-4-2-3-5-13(12)18-14/h2-5,11,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one?
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 154735503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).