3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone

C19H16F2N4O2 — CID 37092543

IUPAC3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C19H16F2N4O2/c20-14-3-1-12(9-15(14)21)18(26)24-5-7-25(8-6-24)19(27)13-2-4-16-17(10-13)23-11-22-16/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeySDSBHNVSOBOJIH-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.44
Rot. Bonds2

About 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 37092543) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
PubChem CID37092543
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C19H16F2N4O2/c20-14-3-1-12(9-15(14)21)18(26)24-5-7-25(8-6-24)19(27)13-2-4-16-17(10-13)23-11-22-16/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeySDSBHNVSOBOJIH-UHFFFAOYSA-N
XLogP2.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 99200972
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
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-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26866142
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108547387
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 126783994
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone (CID 37092543) is 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is SDSBHNVSOBOJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-14-3-1-12(9-15(14)21)18(26)24-5-7-25(8-6-24)19(27)13-2-4-16-17(10-13)23-11-22-16/h1-4,9-11H,5-8H2,(H,22,23).
What are the key properties of 3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 370.36 g/mol, XLogP of 2.44, 2 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-(3,4-difluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 37092543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).