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

C19H20N4O — CID 44783375

IUPAC[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H20N4O/c1-13-6-2-3-7-14(13)19(24)23-11-10-20-17(12-23)18-21-15-8-4-5-9-16(15)22-18/h2-9,17,20H,10-12H2,1H3,(H,21,22)
InChIKeyLGJNHYYBMNSQJJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.66
Rot. Bonds2

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

[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 44783375) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID44783375
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCNC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H20N4O/c1-13-6-2-3-7-14(13)19(24)23-11-10-20-17(12-23)18-21-15-8-4-5-9-16(15)22-18/h2-9,17,20H,10-12H2,1H3,(H,21,22)
InChIKeyLGJNHYYBMNSQJJ-UHFFFAOYSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 44783361
[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)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
(2-methylphenyl)-(3-phenyl-1,4-diazepan-1-yl)methanone
CID 82251319
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90505719
(3-methyl-1,4-diazepan-1-yl)-(2-methylphenyl)methanone
CID 82242995
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 166205070
[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 1108846
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 28667761
3-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 166277654

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 44783375) is [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCNC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is LGJNHYYBMNSQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-6-2-3-7-14(13)19(24)23-11-10-20-17(12-23)18-21-15-8-4-5-9-16(15)22-18/h2-9,17,20H,10-12H2,1H3,(H,21,22).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone?
[3-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.66, 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]-(2-methylphenyl)methanone is sourced from PubChem (CID 44783375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).