4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide

C19H19F2N3O2 — CID 137453588

IUPAC4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
SMILESCCc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-3-12-6-9-16-17(24(2)11-23-16)15(12)10-22-18(25)13-4-7-14(8-5-13)26-19(20)21/h4-9,11,19H,3,10H2,1-2H3,(H,22,25)
InChIKeyYVDZGJOBEGFJFF-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.67
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide

4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide (PubChem CID 137453588) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
PubChem CID137453588
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide
SMILESCCc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-3-12-6-9-16-17(24(2)11-23-16)15(12)10-22-18(25)13-4-7-14(8-5-13)26-19(20)21/h4-9,11,19H,3,10H2,1-2H3,(H,22,25)
InChIKeyYVDZGJOBEGFJFF-UHFFFAOYSA-N
XLogP3.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]-5-(1-fluoroethyl)thiophene-3-carboxamide
CID 137453703
5-(difluoromethyl)-N-[(5-ethoxy-3-methylbenzimidazol-4-yl)methyl]thiophene-3-carboxamide
CID 137453507
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632
3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453512
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
3-(1,1-difluoroethyl)-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-methylbenzamide
CID 137453632
N-[(3,5-dimethylbenzimidazol-4-yl)methyl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 146590734
[5-(difluoromethyl)thiophen-3-yl]-[(5-ethyl-3-methylbenzimidazol-4-yl)methylamino]methanol
CID 162616203
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide (CID 137453588) is 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide is CCc1ccc2ncn(C)c2c1CNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide?
The InChIKey is YVDZGJOBEGFJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-3-12-6-9-16-17(24(2)11-23-16)15(12)10-22-18(25)13-4-7-14(8-5-13)26-19(20)21/h4-9,11,19H,3,10H2,1-2H3,(H,22,25).
What are the key properties of 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide?
4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(5-ethyl-3-methylbenzimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 137453588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).