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

C23H23ClN4O — CID 42530326

IUPAC4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H23ClN4O/c1-15-21(27-23(29-15)17-6-8-18(24)9-7-17)14-28-12-10-16(11-13-28)22-25-19-4-2-3-5-20(19)26-22/h2-9,16H,10-14H2,1H3,(H,25,26)
InChIKeyXUUJVHQVLPKYGD-UHFFFAOYSA-N
MW406.92 g/mol
LogP5.56
Rot. Bonds4

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

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole (PubChem CID 42530326) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
PubChem CID42530326
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H23ClN4O/c1-15-21(27-23(29-15)17-6-8-18(24)9-7-17)14-28-12-10-16(11-13-28)22-25-19-4-2-3-5-20(19)26-22/h2-9,16H,10-14H2,1H3,(H,25,26)
InChIKeyXUUJVHQVLPKYGD-UHFFFAOYSA-N
XLogP5.56
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.92
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 42509081
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92662416
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-(4-chlorophenyl)-5-methyl-4-[[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 45280650
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-(furan-3-yl)-5-methyl-4-[(4-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 42401935
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
4-(azepan-1-yl)-1-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 58540560

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole (CID 42530326) is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole is Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
The InChIKey is XUUJVHQVLPKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c1-15-21(27-23(29-15)17-6-8-18(24)9-7-17)14-28-12-10-16(11-13-28)22-25-19-4-2-3-5-20(19)26-22/h2-9,16H,10-14H2,1H3,(H,25,26).
What are the key properties of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole?
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole has a molecular weight of 406.92 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(4-chlorophenyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 42530326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).