[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone

C18H18N4O — CID 44783361

IUPAC[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(13-6-2-1-3-7-13)22-11-10-19-16(12-22)17-20-14-8-4-5-9-15(14)21-17/h1-9,16,19H,10-12H2,(H,20,21)
InChIKeyJJASGAVHHNHCDK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.35
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone

[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 44783361) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone
PubChem CID44783361
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4O/c23-18(13-6-2-1-3-7-13)22-11-10-19-16(12-22)17-20-14-8-4-5-9-15(14)21-17/h1-9,16,19H,10-12H2,(H,20,21)
InChIKeyJJASGAVHHNHCDK-UHFFFAOYSA-N
XLogP2.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 44783356
4-[3-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 44783370
[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 44783375
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone (CID 44783361) is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCNC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is JJASGAVHHNHCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(13-6-2-1-3-7-13)22-11-10-19-16(12-22)17-20-14-8-4-5-9-15(14)21-17/h1-9,16,19H,10-12H2,(H,20,21).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone?
[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 306.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 44783361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).