[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone

C22H25N3O2 — CID 126450375

IUPAC[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-27-15-13-18-6-4-5-14-25(18)22(26)17-11-9-16(10-12-17)21-23-19-7-2-3-8-20(19)24-21/h2-3,7-12,18H,4-6,13-15H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeySUKHSHRHAIKFCM-SFHVURJKSA-N
MW363.46 g/mol
LogP4.26
Rot. Bonds5

About [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone

[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 126450375) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID126450375
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H25N3O2/c1-27-15-13-18-6-4-5-14-25(18)22(26)17-11-9-16(10-12-17)21-23-19-7-2-3-8-20(19)24-21/h2-3,7-12,18H,4-6,13-15H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeySUKHSHRHAIKFCM-SFHVURJKSA-N
XLogP4.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 126431087
[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126437570
[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-[2-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 44523870
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496
4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide
CID 3572138
(3-chloro-1H-indol-2-yl)-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 72886711

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 126450375) is [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is SUKHSHRHAIKFCM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-15-13-18-6-4-5-14-25(18)22(26)17-11-9-16(10-12-17)21-23-19-7-2-3-8-20(19)24-21/h2-3,7-12,18H,4-6,13-15H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).