1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole

C27H27F2N3O2 — CID 67049968

IUPAC1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole
SMILESCOc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1
InChIInChI=1S/C27H27F2N3O2/c1-33-20-11-9-19(10-12-20)17-34-27-21(8-5-13-30-27)26-31-24-14-22(28)23(29)15-25(24)32(26)16-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7,16-17H2,1H3
InChIKeyLTAFEOMROZKTGN-UHFFFAOYSA-N
MW463.53 g/mol
LogP6.54
Rot. Bonds7

About 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole

1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole (PubChem CID 67049968) has the molecular formula C27H27F2N3O2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole
PubChem CID67049968
Molecular FormulaC27H27F2N3O2
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole
SMILESCOc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1
InChIInChI=1S/C27H27F2N3O2/c1-33-20-11-9-19(10-12-20)17-34-27-21(8-5-13-30-27)26-31-24-14-22(28)23(29)15-25(24)32(26)16-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7,16-17H2,1H3
InChIKeyLTAFEOMROZKTGN-UHFFFAOYSA-N
XLogP6.54
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole 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

3-[3-(cyclopentylmethyl)-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylaniline
CID 68683760
4-[[2-[4-chloro-2-(cyclopentylmethoxy)phenyl]-5,6-difluorobenzimidazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 58209259
3-(3,6-dihydro-2H-pyran-4-yl)-2-[(4-methoxyphenyl)methoxy]pyridine
CID 167460184
1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
CID 23025801
N,N-dicyclohexyl-2-(5,6-difluoro-2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 175290164
2-(2-chloroethyl)-1-(cyclohexylmethyl)-5-fluoro-6-methylbenzimidazole
CID 103593396
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
1-[(3-chlorophenyl)methyl]-2-[2-(cyclopentylmethoxy)-3-pyridinyl]-4,5-difluorobenzimidazole
CID 67083073
4-(cyclohexylmethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-one;4-(cyclohexylmethyl)-3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-one
CID 158351821
2-(1-chloroethyl)-1-(cyclopentylmethyl)-5-fluoro-6-methoxybenzimidazole
CID 63599299
4-[[2-[2-(cyclopentylmethoxy)phenyl]-5,6-difluorobenzimidazol-1-yl]methyl]-3-fluorobenzonitrile
CID 67050093
1-[5-chloro-1-(cyclohexylmethyl)-3-(2-methoxy-3-pyridinyl)indol-2-yl]-2-methylsulfonylethanone
CID 58132323

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole?
The IUPAC name of 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole (CID 67049968) is 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole is COc1ccc(COc2ncccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole?
The InChIKey is LTAFEOMROZKTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O2/c1-33-20-11-9-19(10-12-20)17-34-27-21(8-5-13-30-27)26-31-24-14-22(28)23(29)15-25(24)32(26)16-18-6-3-2-4-7-18/h5,8-15,18H,2-4,6-7,16-17H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole?
1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole has a molecular weight of 463.53 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole is sourced from PubChem (CID 67049968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).