2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C17H23N3O2 — CID 40823641

IUPAC2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C(=O)Cn1c(CCO)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-13-6-4-5-10-19(13)17(22)12-20-15-8-3-2-7-14(15)18-16(20)9-11-21/h2-3,7-8,13,21H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyHCAMMTKFFWDCGU-ZDUSSCGKSA-N
MW301.39 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 40823641) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID40823641
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1C(=O)Cn1c(CCO)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-13-6-4-5-10-19(13)17(22)12-20-15-8-3-2-7-14(15)18-16(20)9-11-21/h2-3,7-8,13,21H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyHCAMMTKFFWDCGU-ZDUSSCGKSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977264
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964375
2-fluoro-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990062
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982026
N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992654
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
2-(4-methoxyphenyl)-N-[5-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994112

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 40823641) is 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is C[C@H]1CCCCN1C(=O)Cn1c(CCO)nc2ccccc21.
What is the InChIKey of 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is HCAMMTKFFWDCGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-6-4-5-10-19(13)17(22)12-20-15-8-3-2-7-14(15)18-16(20)9-11-21/h2-3,7-8,13,21H,4-6,9-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 40823641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).