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

C14H17FN4O — CID 11594278

IUPAC(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12
InChIInChI=1S/C14H17FN4O/c1-9-10(15)3-4-11-12(9)17-13(16-11)14(20)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyHMJKXVOYUMHGGB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.40
Rot. Bonds1

About (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 11594278) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID11594278
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12
InChIInChI=1S/C14H17FN4O/c1-9-10(15)3-4-11-12(9)17-13(16-11)14(20)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyHMJKXVOYUMHGGB-UHFFFAOYSA-N
XLogP1.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 11594278) is (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is Cc1c(F)ccc2[nH]c(C(=O)N3CCN(C)CC3)nc12.
What is the InChIKey of (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HMJKXVOYUMHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-10(15)3-4-11-12(9)17-13(16-11)14(20)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3,(H,16,17).
What are the key properties of (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 276.31 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-methyl-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 11594278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).