6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole

C22H18ClF2N3O2 — CID 118108486

IUPAC6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccc(-c3ccc(Cl)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H18ClF2N3O2/c1-29-13-21-27-17-8-6-14(15-7-9-20(23)26-11-15)10-18(17)28(21)12-16-4-2-3-5-19(16)30-22(24)25/h2-11,22H,12-13H2,1H3
InChIKeyMKEMVFAGXCPXRW-UHFFFAOYSA-N
MW429.85 g/mol
LogP5.55
Rot. Bonds7

About 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole

6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole (PubChem CID 118108486) has the molecular formula C22H18ClF2N3O2 and a molecular weight of 429.85 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
PubChem CID118108486
Molecular FormulaC22H18ClF2N3O2
Molecular Weight429.85 g/mol
Exact Mass429.11
IUPAC Name6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccc(-c3ccc(Cl)nc3)cc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C22H18ClF2N3O2/c1-29-13-21-27-17-8-6-14(15-7-9-20(23)26-11-15)10-18(17)28(21)12-16-4-2-3-5-19(16)30-22(24)25/h2-11,22H,12-13H2,1H3
InChIKeyMKEMVFAGXCPXRW-UHFFFAOYSA-N
XLogP5.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.85
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(ethoxymethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699393
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699565
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-1H-pyridin-2-one
CID 118108504
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699395
2-[4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-2-pyridinyl]piperazin-1-yl]acetic acid;hydrochloride
CID 118108581
5-[1-[[2-(difluoromethoxy)phenyl]methyl]-2-(hydroxymethyl)imidazo[4,5-c]pyridin-6-yl]-1H-pyrimidin-2-one
CID 129186896
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 962448
6-(2-cyclobutyl-4-methylpyrimidin-5-yl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazole
CID 118108463
[1-[[2-(difluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methanol
CID 151496548
4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylbenzimidazol-5-yl]-4-methyl-2-pyridinyl]-1,4-thiazinane 1-oxide
CID 118108478
6-(2,5-dichloro-4-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
CID 122620371
1-[[2-(difluoromethoxy)phenyl]methyl]-6-[(6-methoxy-2-pyridinyl)methyl]-2-methylbenzimidazole
CID 118108489

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole (CID 118108486) is 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole is COCc1nc2ccc(-c3ccc(Cl)nc3)cc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole?
The InChIKey is MKEMVFAGXCPXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O2/c1-29-13-21-27-17-8-6-14(15-7-9-20(23)26-11-15)10-18(17)28(21)12-16-4-2-3-5-19(16)30-22(24)25/h2-11,22H,12-13H2,1H3.
What are the key properties of 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole?
6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole has a molecular weight of 429.85 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-1-[[2-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 118108486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).