4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide

C26H23F2N3O3 — CID 24504404

IUPAC4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
SMILESCOc1cc(CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C26H23F2N3O3/c1-33-24-14-17(6-13-23(24)34-26(27)28)15-30(19-11-12-19)25(32)18-7-9-20(10-8-18)31-16-29-21-4-2-3-5-22(21)31/h2-10,13-14,16,19,26H,11-12,15H2,1H3
InChIKeyTVYILSBXCWGSCI-UHFFFAOYSA-N
MW463.48 g/mol
LogP5.44
Rot. Bonds8

About 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide

4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide (PubChem CID 24504404) has the molecular formula C26H23F2N3O3 and a molecular weight of 463.48 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
PubChem CID24504404
Molecular FormulaC26H23F2N3O3
Molecular Weight463.48 g/mol
Exact Mass463.17
IUPAC Name4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
SMILESCOc1cc(CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C26H23F2N3O3/c1-33-24-14-17(6-13-23(24)34-26(27)28)15-30(19-11-12-19)25(32)18-7-9-20(10-8-18)31-16-29-21-4-2-3-5-22(21)31/h2-10,13-14,16,19,26H,11-12,15H2,1H3
InChIKeyTVYILSBXCWGSCI-UHFFFAOYSA-N
XLogP5.44
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18111635
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17480212
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530528
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide (CID 24504404) is 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide is COc1cc(CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C2CC2)ccc1OC(F)F.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide?
The InChIKey is TVYILSBXCWGSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3/c1-33-24-14-17(6-13-23(24)34-26(27)28)15-30(19-11-12-19)25(32)18-7-9-20(10-8-18)31-16-29-21-4-2-3-5-22(21)31/h2-10,13-14,16,19,26H,11-12,15H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide?
4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide has a molecular weight of 463.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 24504404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).