[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

C27H27N3O2 — CID 78881203

IUPAC[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O2/c1-20-8-14-23(15-9-20)32-19-26-28-24-6-2-3-7-25(24)30(26)18-21-10-12-22(13-11-21)27(31)29-16-4-5-17-29/h2-3,6-15H,4-5,16-19H2,1H3
InChIKeyRLHHBAGLBDUYEY-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.21
Rot. Bonds6

About [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 78881203) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID78881203
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C27H27N3O2/c1-20-8-14-23(15-9-20)32-19-26-28-24-6-2-3-7-25(24)30(26)18-21-10-12-22(13-11-21)27(31)29-16-4-5-17-29/h2-3,6-15H,4-5,16-19H2,1H3
InChIKeyRLHHBAGLBDUYEY-UHFFFAOYSA-N
XLogP5.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
methyl 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methoxy]benzoate
CID 142221111
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
ethyl (3R)-1-[4-[(2-benzylbenzimidazol-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 93301680
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 78881203) is [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is Cc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is RLHHBAGLBDUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-20-8-14-23(15-9-20)32-19-26-28-24-6-2-3-7-25(24)30(26)18-21-10-12-22(13-11-21)27(31)29-16-4-5-17-29/h2-3,6-15H,4-5,16-19H2,1H3.
What are the key properties of [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 425.53 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 78881203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).