[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate

C22H20ClF2N3O3 — CID 16625178

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20ClF2N3O3/c23-16-7-5-14(6-8-16)20(29)27-11-9-15(10-12-27)21(30)31-13-19-26-17-3-1-2-4-18(17)28(19)22(24)25/h1-8,15,22H,9-13H2
InChIKeyLWAXSFHPHHIQGD-UHFFFAOYSA-N
MW447.87 g/mol
LogP4.68
Rot. Bonds5

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 16625178) has the molecular formula C22H20ClF2N3O3 and a molecular weight of 447.87 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID16625178
Molecular FormulaC22H20ClF2N3O3
Molecular Weight447.87 g/mol
Exact Mass447.12
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20ClF2N3O3/c23-16-7-5-14(6-8-16)20(29)27-11-9-15(10-12-27)21(30)31-13-19-26-17-3-1-2-4-18(17)28(19)22(24)25/h1-8,15,22H,9-13H2
InChIKeyLWAXSFHPHHIQGD-UHFFFAOYSA-N
XLogP4.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.87
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl (3R)-1,1-dioxothiolane-3-carboxylate
CID 94618093
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641198
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
(4-cyanophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635144
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
CID 21204758
ethyl 1-[4-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]benzoyl]piperidine-4-carboxylate
CID 50838501
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16624215
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 16625178) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate is O=C(OCc1nc2ccccc2n1C(F)F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is LWAXSFHPHHIQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O3/c23-16-7-5-14(6-8-16)20(29)27-11-9-15(10-12-27)21(30)31-13-19-26-17-3-1-2-4-18(17)28(19)22(24)25/h1-8,15,22H,9-13H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 447.87 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 16625178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).