methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate

C20H21FN2O2 — CID 15129916

IUPACmethyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate
SMILESCCCCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H21FN2O2/c1-3-4-5-19-22-17-11-10-16(21)12-18(17)23(19)13-14-6-8-15(9-7-14)20(24)25-2/h6-12H,3-5,13H2,1-2H3
InChIKeyMFWGIVWWFZVIKX-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.35
Rot. Bonds6

About methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate

methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate (PubChem CID 15129916) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate
PubChem CID15129916
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Namemethyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate
SMILESCCCCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C20H21FN2O2/c1-3-4-5-19-22-17-11-10-16(21)12-18(17)23(19)13-14-6-8-15(9-7-14)20(24)25-2/h6-12H,3-5,13H2,1-2H3
InChIKeyMFWGIVWWFZVIKX-UHFFFAOYSA-N
XLogP4.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-benzoyl-2-propylbenzimidazol-1-yl)methyl]benzoate
CID 15546115
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
tert-butyl 2-[4-[[6-(2-anilinoethylcarbamoyl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572326
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983959
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140
N-(benzenesulfonyl)-4-[(2-butylbenzimidazol-1-yl)methyl]benzamide
CID 19806374
2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
[2-[4-[[2-butyl-6-[butyl(methyl)carbamoyl]benzimidazol-1-yl]methyl]phenyl]phenyl] N-(trifluoromethylsulfonyl)carbamate
CID 67757831

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate (CID 15129916) is methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate is CCCCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate?
The InChIKey is MFWGIVWWFZVIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-3-4-5-19-22-17-11-10-16(21)12-18(17)23(19)13-14-6-8-15(9-7-14)20(24)25-2/h6-12H,3-5,13H2,1-2H3.
What are the key properties of methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate?
methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate has a molecular weight of 340.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]benzoate is sourced from PubChem (CID 15129916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).