(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

C20H22N4O — CID 95967887

IUPAC(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H22N4O/c1-22-15-21-18-13-17(7-8-19(18)22)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyAQCVJKPQQDSIBW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.53
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 95967887) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
PubChem CID95967887
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C20H22N4O/c1-22-15-21-18-13-17(7-8-19(18)22)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyAQCVJKPQQDSIBW-UHFFFAOYSA-N
XLogP2.53
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 136547220
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17398284
(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
CID 136554374
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659
N,N-dimethyl-4-(1-methylbenzimidazole-5-carbonyl)piperazine-1-sulfonamide
CID 110805086
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (CID 95967887) is (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is Cn1cnc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is AQCVJKPQQDSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-22-15-21-18-13-17(7-8-19(18)22)20(25)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 334.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 95967887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).