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

C22H25F2N3O2 — CID 22270279

IUPACN-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1nc2cc(CO)ccc2n1CCC)c1cc(F)ccc1F
InChIInChI=1S/C22H25F2N3O2/c1-3-5-22(29)27(20-12-16(23)7-8-17(20)24)13-21-25-18-11-15(14-28)6-9-19(18)26(21)10-4-2/h6-9,11-12,28H,3-5,10,13-14H2,1-2H3
InChIKeyUQTIFXXYUZKHPU-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.55
Rot. Bonds8

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

N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide (PubChem CID 22270279) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
PubChem CID22270279
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1nc2cc(CO)ccc2n1CCC)c1cc(F)ccc1F
InChIInChI=1S/C22H25F2N3O2/c1-3-5-22(29)27(20-12-16(23)7-8-17(20)24)13-21-25-18-11-15(14-28)6-9-19(18)26(21)10-4-2/h6-9,11-12,28H,3-5,10,13-14H2,1-2H3
InChIKeyUQTIFXXYUZKHPU-UHFFFAOYSA-N
XLogP4.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide (CID 22270279) is N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide is CCCC(=O)N(Cc1nc2cc(CO)ccc2n1CCC)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
The InChIKey is UQTIFXXYUZKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-3-5-22(29)27(20-12-16(23)7-8-17(20)24)13-21-25-18-11-15(14-28)6-9-19(18)26(21)10-4-2/h6-9,11-12,28H,3-5,10,13-14H2,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide?
N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide has a molecular weight of 401.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N-[[5-(hydroxymethyl)-1-propylbenzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 22270279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).