4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

C27H26N4O — CID 46772071

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H26N4O/c1-20-28-15-17-31(20)25-12-8-21(9-13-25)18-29-27(32)24-10-6-22(7-11-24)19-30-16-14-23-4-2-3-5-26(23)30/h2-13,15,17H,14,16,18-19H2,1H3,(H,29,32)
InChIKeyPEPLQCUIIZDBDM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.67
Rot. Bonds6

About 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 46772071) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID46772071
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H26N4O/c1-20-28-15-17-31(20)25-12-8-21(9-13-25)18-29-27(32)24-10-6-22(7-11-24)19-30-16-14-23-4-2-3-5-26(23)30/h2-13,15,17H,14,16,18-19H2,1H3,(H,29,32)
InChIKeyPEPLQCUIIZDBDM-UHFFFAOYSA-N
XLogP4.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28631742
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43918185
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92681190
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 92673554
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 46772071) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is PEPLQCUIIZDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-20-28-15-17-31(20)25-12-8-21(9-13-25)18-29-27(32)24-10-6-22(7-11-24)19-30-16-14-23-4-2-3-5-26(23)30/h2-13,15,17H,14,16,18-19H2,1H3,(H,29,32).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 46772071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).