1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone

C13H16N4O — CID 10083188

IUPAC1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13(18)12-14-10-4-2-3-5-11(10)15-12/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyKCVXUVKSHFDJIV-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.95
Rot. Bonds1

About 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone

1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 10083188) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID10083188
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13(18)12-14-10-4-2-3-5-11(10)15-12/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyKCVXUVKSHFDJIV-UHFFFAOYSA-N
XLogP0.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone (CID 10083188) is 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KCVXUVKSHFDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13(18)12-14-10-4-2-3-5-11(10)15-12/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone?
1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10083188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).