1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

C22H24N4O — CID 126428921

IUPAC1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-23-19-7-3-4-8-20(19)24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1
InChIKeyUCJABWJYTCCUJQ-SFHVURJKSA-N
MW360.46 g/mol
LogP2.88
Rot. Bonds2

About 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone

1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (PubChem CID 126428921) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
PubChem CID126428921
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H24N4O/c27-22(21-23-19-7-3-4-8-20(19)24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1
InChIKeyUCJABWJYTCCUJQ-SFHVURJKSA-N
XLogP2.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-indol-2-yl-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95727435
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
quinoxalin-5-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725882
(5-methyl-1H-imidazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95469001
(1-methylpyrazol-4-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95720627
[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95718041
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56904168
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone (CID 126428921) is 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
The InChIKey is UCJABWJYTCCUJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(21-23-19-7-3-4-8-20(19)24-21)26-13-11-25(12-14-26)18-10-9-16-5-1-2-6-17(16)15-18/h1-8,18H,9-15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 126428921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).