[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

C21H23N3O2 — CID 110899899

IUPAC[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(Cn2c(CO)nc3ccccc32)c1)N1CCCCC1
InChIInChI=1S/C21H23N3O2/c25-15-20-22-18-9-2-3-10-19(18)24(20)14-16-7-6-8-17(13-16)21(26)23-11-4-1-5-12-23/h2-3,6-10,13,25H,1,4-5,11-12,14-15H2
InChIKeyXDKRCYWGNZMELQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds4

About [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone

[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 110899899) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID110899899
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(Cn2c(CO)nc3ccccc32)c1)N1CCCCC1
InChIInChI=1S/C21H23N3O2/c25-15-20-22-18-9-2-3-10-19(18)24(20)14-16-7-6-8-17(13-16)21(26)23-11-4-1-5-12-23/h2-3,6-10,13,25H,1,4-5,11-12,14-15H2
InChIKeyXDKRCYWGNZMELQ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78881203
3-[(2-aminobenzimidazol-1-yl)methyl]benzoic acid
CID 82358949
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]benzamide
CID 71942268
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440
3-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144550
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone (CID 110899899) is [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(Cn2c(CO)nc3ccccc32)c1)N1CCCCC1.
What is the InChIKey of [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is XDKRCYWGNZMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-15-20-22-18-9-2-3-10-19(18)24(20)14-16-7-6-8-17(13-16)21(26)23-11-4-1-5-12-23/h2-3,6-10,13,25H,1,4-5,11-12,14-15H2.
What are the key properties of [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone?
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 349.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110899899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).