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

C14H18N4O — CID 10083861

IUPAC(6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(C(=O)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C14H18N4O/c1-10-3-4-11-12(9-10)16-13(15-11)14(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyQBLIKIGKLODZFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds1

About (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10083861) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10083861
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(C(=O)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C14H18N4O/c1-10-3-4-11-12(9-10)16-13(15-11)14(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyQBLIKIGKLODZFM-UHFFFAOYSA-N
XLogP1.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10083861) is (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is Cc1ccc2nc(C(=O)N3CCN(C)CC3)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QBLIKIGKLODZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-4-11-12(9-10)16-13(15-11)14(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3,(H,15,16).
What are the key properties of (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10083861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).