3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide

C20H21F2N3O2 — CID 137453632

IUPAC3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(C)c(C(C)(F)F)c1
InChIInChI=1S/C20H21F2N3O2/c1-12-5-6-13(9-15(12)20(2,21)22)19(26)23-10-14-17(27-4)8-7-16-18(14)25(3)11-24-16/h5-9,11H,10H2,1-4H3,(H,23,26)
InChIKeyFRMIZNKYQBREFK-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.93
Rot. Bonds5

About 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide

3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide (PubChem CID 137453632) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
PubChem CID137453632
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
SMILESCOc1ccc2ncn(C)c2c1CNC(=O)c1ccc(C)c(C(C)(F)F)c1
InChIInChI=1S/C20H21F2N3O2/c1-12-5-6-13(9-15(12)20(2,21)22)19(26)23-10-14-17(27-4)8-7-16-18(14)25(3)11-24-16/h5-9,11H,10H2,1-4H3,(H,23,26)
InChIKeyFRMIZNKYQBREFK-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4,5-dimethylbenzamide
CID 137453630
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
3-tert-butyl-4-methoxy-N-propylbenzamide
CID 110761278
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide (CID 137453632) is 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide is COc1ccc2ncn(C)c2c1CNC(=O)c1ccc(C)c(C(C)(F)F)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide?
The InChIKey is FRMIZNKYQBREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-12-5-6-13(9-15(12)20(2,21)22)19(26)23-10-14-17(27-4)8-7-16-18(14)25(3)11-24-16/h5-9,11H,10H2,1-4H3,(H,23,26).
What are the key properties of 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide?
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide has a molecular weight of 373.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 137453632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).