[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone

C25H25N3O2S — CID 44523870

IUPAC[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C25H25N3O2S/c1-16(29)21-8-4-5-15-28(21)25(30)18-11-9-17(10-12-18)22-13-14-23(31-22)24-26-19-6-2-3-7-20(19)27-24/h2-3,6-7,9-14,16,21,29H,4-5,8,15H2,1H3,(H,26,27)
InChIKeyJGHVPLNFANBFMV-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.33
Rot. Bonds4

About [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone

[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 44523870) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID44523870
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C25H25N3O2S/c1-16(29)21-8-4-5-15-28(21)25(30)18-11-9-17(10-12-18)22-13-14-23(31-22)24-26-19-6-2-3-7-20(19)27-24/h2-3,6-7,9-14,16,21,29H,4-5,8,15H2,1H3,(H,26,27)
InChIKeyJGHVPLNFANBFMV-UHFFFAOYSA-N
XLogP5.33
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]ethanone
CID 119435358
[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 44523883
4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide
CID 3572138
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 124879507
[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
2-[5-[3-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526438
2-[5-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530526
4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526507

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 44523870) is [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCCCN1C(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1.
What is the InChIKey of [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is JGHVPLNFANBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-16(29)21-8-4-5-15-28(21)25(30)18-11-9-17(10-12-18)22-13-14-23(31-22)24-26-19-6-2-3-7-20(19)27-24/h2-3,6-7,9-14,16,21,29H,4-5,8,15H2,1H3,(H,26,27).
What are the key properties of [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone?
[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 431.56 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 44523870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).