2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole

C19H24N4O — CID 138032898

IUPAC2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)o1
InChIInChI=1S/C19H24N4O/c1-2-15-12-20-19(24-15)13-23-9-7-14(8-10-23)11-18-21-16-5-3-4-6-17(16)22-18/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,22)
InChIKeyZRSBHQLPELDOLA-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.57
Rot. Bonds5

About 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole

2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole (PubChem CID 138032898) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole
PubChem CID138032898
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole
SMILESCCc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)o1
InChIInChI=1S/C19H24N4O/c1-2-15-12-20-19(24-15)13-23-9-7-14(8-10-23)11-18-21-16-5-3-4-6-17(16)22-18/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,22)
InChIKeyZRSBHQLPELDOLA-UHFFFAOYSA-N
XLogP3.57
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584
4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 138031331
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole?
The IUPAC name of 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole (CID 138032898) is 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole is CCc1cnc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)o1.
What is the InChIKey of 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole?
The InChIKey is ZRSBHQLPELDOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-15-12-20-19(24-15)13-23-9-7-14(8-10-23)11-18-21-16-5-3-4-6-17(16)22-18/h3-6,12,14H,2,7-11,13H2,1H3,(H,21,22).
What are the key properties of 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole?
2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole has a molecular weight of 324.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole is sourced from PubChem (CID 138032898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).