2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

C21H23N3O2 — CID 2985948

IUPAC2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(C(O)c2ccccc2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C21H23N3O2/c25-19(23-13-7-2-8-14-23)15-24-18-12-6-5-11-17(18)22-21(24)20(26)16-9-3-1-4-10-16/h1,3-6,9-12,20,26H,2,7-8,13-15H2
InChIKeyGIXXCSXZEPJHSN-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.13
Rot. Bonds4

About 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 2985948) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID2985948
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(C(O)c2ccccc2)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C21H23N3O2/c25-19(23-13-7-2-8-14-23)15-24-18-12-6-5-11-17(18)22-21(24)20(26)16-9-3-1-4-10-16/h1,3-6,9-12,20,26H,2,7-8,13-15H2
InChIKeyGIXXCSXZEPJHSN-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(R)-phenyl(phenylsulfanyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 35080198
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999048
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 2985948) is 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1c(C(O)c2ccccc2)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is GIXXCSXZEPJHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19(23-13-7-2-8-14-23)15-24-18-12-6-5-11-17(18)22-21(24)20(26)16-9-3-1-4-10-16/h1,3-6,9-12,20,26H,2,7-8,13-15H2.
What are the key properties of 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 349.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 2985948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).