3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone

C13H16N4O — CID 18847527

IUPAC3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H16N4O/c1-16-4-6-17(7-5-16)13(18)10-2-3-11-12(8-10)15-9-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15)
InChIKeyBKQAPXMMLSWOEV-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.95
Rot. Bonds1

About 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone

3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 18847527) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID18847527
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C13H16N4O/c1-16-4-6-17(7-5-16)13(18)10-2-3-11-12(8-10)15-9-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15)
InChIKeyBKQAPXMMLSWOEV-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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Related Compounds

1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 126783994
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
3H-benzimidazol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544139

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone (CID 18847527) is 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BKQAPXMMLSWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-4-6-17(7-5-16)13(18)10-2-3-11-12(8-10)15-9-14-11/h2-3,8-9H,4-7H2,1H3,(H,14,15).
What are the key properties of 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone?
3H-benzimidazol-5-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 3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 18847527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).