2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide

C20H22N4O — CID 71911492

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)CN3Cc4ccccc4C3)n(C)c12
InChIInChI=1S/C20H22N4O/c1-14-6-5-9-17-20(14)23(2)18(22-17)10-21-19(25)13-24-11-15-7-3-4-8-16(15)12-24/h3-9H,10-13H2,1-2H3,(H,21,25)
InChIKeyHPFCWQHHCSYEAP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.51
Rot. Bonds4

About 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide

2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 71911492) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
PubChem CID71911492
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)CN3Cc4ccccc4C3)n(C)c12
InChIInChI=1S/C20H22N4O/c1-14-6-5-9-17-20(14)23(2)18(22-17)10-21-19(25)13-24-11-15-7-3-4-8-16(15)12-24/h3-9H,10-13H2,1-2H3,(H,21,25)
InChIKeyHPFCWQHHCSYEAP-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide (CID 71911492) is 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide is Cc1cccc2nc(CNC(=O)CN3Cc4ccccc4C3)n(C)c12.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is HPFCWQHHCSYEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-6-5-9-17-20(14)23(2)18(22-17)10-21-19(25)13-24-11-15-7-3-4-8-16(15)12-24/h3-9H,10-13H2,1-2H3,(H,21,25).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide?
2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).