3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide

C68H71N13O15 — CID 157348632

IUPAC3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)NCC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1
InChIInChI=1S/C23H25N5O4.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,12-13,24,29H,1,6-11,14H2,(H,25,26,31);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30)
InChIKeyBHGRCQVNMTXONR-UHFFFAOYSA-N
MW1310.39 g/mol
LogP5.23
Rot. Bonds19

About 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide

3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide (PubChem CID 157348632) has the molecular formula C68H71N13O15 and a molecular weight of 1310.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
PubChem CID157348632
Molecular FormulaC68H71N13O15
Molecular Weight1310.39 g/mol
Exact Mass1309.52
IUPAC Name3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)NCC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1
InChIInChI=1S/C23H25N5O4.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,12-13,24,29H,1,6-11,14H2,(H,25,26,31);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30)
InChIKeyBHGRCQVNMTXONR-UHFFFAOYSA-N
XLogP5.23
TPSA348.63 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001310.39
LogP ≤ 55.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide (CID 157348632) is 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)NCC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The InChIKey is BHGRCQVNMTXONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,12-13,24,29H,1,6-11,14H2,(H,25,26,31);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30).
What are the key properties of 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide has a molecular weight of 1310.39 g/mol, XLogP of 5.23, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 157348632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).