2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

C23H24N4O — CID 25204973

IUPAC2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESCc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C23H24N4O/c1-17-4-9-22-21(12-17)24-16-27(22)13-18-5-7-19(8-6-18)23-25-20(15-28-23)14-26-10-2-3-11-26/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3
InChIKeyLNIOMGGQGNFEDK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.64
Rot. Bonds5

About 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole

2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (PubChem CID 25204973) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
PubChem CID25204973
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
SMILESCc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1
InChIInChI=1S/C23H24N4O/c1-17-4-9-22-21(12-17)24-16-27(22)13-18-5-7-19(8-6-18)23-25-20(15-28-23)14-26-10-2-3-11-26/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3
InChIKeyLNIOMGGQGNFEDK-UHFFFAOYSA-N
XLogP4.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(benzimidazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]methanol;ethane
CID 143747897
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204228
4-(azepan-1-ylmethyl)-2-[4-(benzimidazol-1-yl)phenyl]-1,3-oxazole
CID 25204301
1-benzyl-5-methylbenzimidazole
CID 12620837
2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204504
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
4-[(5,6-difluorobenzimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 31808004
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
2-methyl-1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111393885
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole (CID 25204973) is 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is Cc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1.
What is the InChIKey of 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is LNIOMGGQGNFEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-4-9-22-21(12-17)24-16-27(22)13-18-5-7-19(8-6-18)23-25-20(15-28-23)14-26-10-2-3-11-26/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3.
What are the key properties of 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole?
2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 372.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylbenzimidazol-1-yl)methyl]phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 25204973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).