N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide

C32H30N4O2 — CID 118709782

IUPACN-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H30N4O2/c1-35(32(38)26-14-13-22-7-2-3-8-24(22)19-26)18-17-30-34-28-11-4-5-12-29(28)36(30)21-31(37)33-27-16-15-23-9-6-10-25(23)20-27/h2-5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1H3,(H,33,37)
InChIKeyYDJYOHZQRXDAIE-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.63
Rot. Bonds7

About N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide

N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 118709782) has the molecular formula C32H30N4O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
PubChem CID118709782
Molecular FormulaC32H30N4O2
Molecular Weight502.62 g/mol
Exact Mass502.24
IUPAC NameN-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C32H30N4O2/c1-35(32(38)26-14-13-22-7-2-3-8-24(22)19-26)18-17-30-34-28-11-4-5-12-29(28)36(30)21-31(37)33-27-16-15-23-9-6-10-25(23)20-27/h2-5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1H3,(H,33,37)
InChIKeyYDJYOHZQRXDAIE-UHFFFAOYSA-N
XLogP5.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide (CID 118709782) is N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide is CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is YDJYOHZQRXDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2/c1-35(32(38)26-14-13-22-7-2-3-8-24(22)19-26)18-17-30-34-28-11-4-5-12-29(28)36(30)21-31(37)33-27-16-15-23-9-6-10-25(23)20-27/h2-5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1H3,(H,33,37).
What are the key properties of N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide?
N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 118709782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).