3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide

C25H25N3O2 — CID 17007935

IUPAC3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CCCc2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-30-21-13-7-12-20(17-21)25(29)26-18-24-27-22-14-5-6-15-23(22)28(24)16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,17H,8,11,16,18H2,1H3,(H,26,29)
InChIKeyHWRGUTYFCWFCKY-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.61
Rot. Bonds8

About 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide

3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007935) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17007935
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nc3ccccc3n2CCCc2ccccc2)c1
InChIInChI=1S/C25H25N3O2/c1-30-21-13-7-12-20(17-21)25(29)26-18-24-27-22-14-5-6-15-23(22)28(24)16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,17H,8,11,16,18H2,1H3,(H,26,29)
InChIKeyHWRGUTYFCWFCKY-UHFFFAOYSA-N
XLogP4.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975792

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide (CID 17007935) is 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide is COc1cccc(C(=O)NCc2nc3ccccc3n2CCCc2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is HWRGUTYFCWFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-30-21-13-7-12-20(17-21)25(29)26-18-24-27-22-14-5-6-15-23(22)28(24)16-8-11-19-9-3-2-4-10-19/h2-7,9-10,12-15,17H,8,11,16,18H2,1H3,(H,26,29).
What are the key properties of 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide?
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).