(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C25H25N5O — CID 17398284

IUPAC(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCN(Cc4ccncc4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C25H25N5O/c1-19-27-23-17-21(7-8-24(23)30(19)22-5-3-2-4-6-22)25(31)29-15-13-28(14-16-29)18-20-9-11-26-12-10-20/h2-12,17H,13-16,18H2,1H3
InChIKeyKWDQYSZCMYHCBO-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.69
Rot. Bonds4

About (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17398284) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID17398284
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCN(Cc4ccncc4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C25H25N5O/c1-19-27-23-17-21(7-8-24(23)30(19)22-5-3-2-4-6-22)25(31)29-15-13-28(14-16-29)18-20-9-11-26-12-10-20/h2-12,17H,13-16,18H2,1H3
InChIKeyKWDQYSZCMYHCBO-UHFFFAOYSA-N
XLogP3.69
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55656773
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 17398284) is (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is Cc1nc2cc(C(=O)N3CCN(Cc4ccncc4)CC3)ccc2n1-c1ccccc1.
What is the InChIKey of (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KWDQYSZCMYHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-19-27-23-17-21(7-8-24(23)30(19)22-5-3-2-4-6-22)25(31)29-15-13-28(14-16-29)18-20-9-11-26-12-10-20/h2-12,17H,13-16,18H2,1H3.
What are the key properties of (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 411.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17398284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).