4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide

C22H25F2N3O2 — CID 57265337

IUPAC4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
SMILESCCCn1c(CNC(=O)CCCc2cc(F)ccc2F)nc2cc(CO)ccc21
InChIInChI=1S/C22H25F2N3O2/c1-2-10-27-20-9-6-15(14-28)11-19(20)26-21(27)13-25-22(29)5-3-4-16-12-17(23)7-8-18(16)24/h6-9,11-12,28H,2-5,10,13-14H2,1H3,(H,25,29)
InChIKeyRVMLQWYXCDJDJS-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.86
Rot. Bonds9

About 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide

4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide (PubChem CID 57265337) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
PubChem CID57265337
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
SMILESCCCn1c(CNC(=O)CCCc2cc(F)ccc2F)nc2cc(CO)ccc21
InChIInChI=1S/C22H25F2N3O2/c1-2-10-27-20-9-6-15(14-28)11-19(20)26-21(27)13-25-22(29)5-3-4-16-12-17(23)7-8-18(16)24/h6-9,11-12,28H,2-5,10,13-14H2,1H3,(H,25,29)
InChIKeyRVMLQWYXCDJDJS-UHFFFAOYSA-N
XLogP3.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide (CID 57265337) is 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide is CCCn1c(CNC(=O)CCCc2cc(F)ccc2F)nc2cc(CO)ccc21.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The InChIKey is RVMLQWYXCDJDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-2-10-27-20-9-6-15(14-28)11-19(20)26-21(27)13-25-22(29)5-3-4-16-12-17(23)7-8-18(16)24/h6-9,11-12,28H,2-5,10,13-14H2,1H3,(H,25,29).
What are the key properties of 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide has a molecular weight of 401.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 57265337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).