1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C77H83FN20O9 — CID 158034729

IUPAC1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H29N7O3.C26H28N6O4.C25H26FN7O2/c1-3-27-26(35)31-25-29-22-14-19(13-20(24(22)30-25)21-6-4-5-7-28-21)18-12-17(2)33(23(34)15-18)16-32-8-10-36-11-9-32;1-3-36-26(34)30-25-28-22-14-19(13-20(24(22)29-25)21-6-4-5-7-27-21)18-12-17(2)32(23(33)15-18)16-31-8-10-35-11-9-31;1-2-27-25(34)32-24-30-21-13-17(12-19(23(21)31-24)22-20(26)4-3-7-28-22)16-5-6-18(29-14-16)15-33-8-10-35-11-9-33/h4-7,12-15H,3,8-11,16H2,1-2H3,(H3,27,29,30,31,35);4-7,12-15H,3,8-11,16H2,1-2H3,(H2,28,29,30,34);3-7,12-14H,2,8-11,15H2,1H3,(H3,27,30,31,32,34)
InChIKeyFHPNBPIHZSHWRI-UHFFFAOYSA-N
MW1451.64 g/mol
LogP10.61
Rot. Bonds18

About 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 158034729) has the molecular formula C77H83FN20O9 and a molecular weight of 1451.64 g/mol. Its IUPAC name is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID158034729
Molecular FormulaC77H83FN20O9
Molecular Weight1451.64 g/mol
Exact Mass1450.66
IUPAC Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1
InChIInChI=1S/C26H29N7O3.C26H28N6O4.C25H26FN7O2/c1-3-27-26(35)31-25-29-22-14-19(13-20(24(22)30-25)21-6-4-5-7-28-21)18-12-17(2)33(23(34)15-18)16-32-8-10-36-11-9-32;1-3-36-26(34)30-25-28-22-14-19(13-20(24(22)29-25)21-6-4-5-7-27-21)18-12-17(2)32(23(33)15-18)16-31-8-10-35-11-9-31;1-2-27-25(34)32-24-30-21-13-17(12-19(23(21)31-24)22-20(26)4-3-7-28-22)16-5-6-18(29-14-16)15-33-8-10-35-11-9-33/h4-7,12-15H,3,8-11,16H2,1-2H3,(H3,27,29,30,31,35);4-7,12-15H,3,8-11,16H2,1-2H3,(H2,28,29,30,34);3-7,12-14H,2,8-11,15H2,1H3,(H3,27,30,31,32,34)
InChIKeyFHPNBPIHZSHWRI-UHFFFAOYSA-N
XLogP10.61
TPSA339.60 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001451.64
LogP ≤ 510.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-(methylamino)-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(methylamino)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
CID 160628527
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]carbamate
CID 54674042
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(piperazin-1-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11569096
ethyl N-[6-[2-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160854815
ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 162011277
ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-(2-morpholin-4-ylethoxy)pyrimidin-5-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 158002908
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[(2-methylpropylamino)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11655559
1-[6-[2-[(4-benzylmorpholin-2-yl)methoxy]pyrimidin-5-yl]-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 11664274
ethyl N-[4-(3-fluoro-2-pyridinyl)-6-[2-(pyridin-2-ylmethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 54673896
ethyl N-[6-[6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate;methane
CID 160531217
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11684783
ethyl N-[6-[6-[[2-[ethyl(propanoyl)amino]ethyl-methylamino]methyl]-3-pyridinyl]-4-(3-fluoro-2-pyridinyl)-1H-benzimidazol-2-yl]carbamate
CID 70995480

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 158034729) is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1.CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.CCOC(=O)Nc1nc2c(-c3ccccn3)cc(-c3cc(C)n(CN4CCOCC4)c(=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is FHPNBPIHZSHWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3.C26H28N6O4.C25H26FN7O2/c1-3-27-26(35)31-25-29-22-14-19(13-20(24(22)30-25)21-6-4-5-7-28-21)18-12-17(2)33(23(34)15-18)16-32-8-10-36-11-9-32;1-3-36-26(34)30-25-28-22-14-19(13-20(24(22)29-25)21-6-4-5-7-27-21)18-12-17(2)32(23(33)15-18)16-31-8-10-35-11-9-31;1-2-27-25(34)32-24-30-21-13-17(12-19(23(21)31-24)22-20(26)4-3-7-28-22)16-5-6-18(29-14-16)15-33-8-10-35-11-9-33/h4-7,12-15H,3,8-11,16H2,1-2H3,(H3,27,29,30,31,35);4-7,12-15H,3,8-11,16H2,1-2H3,(H2,28,29,30,34);3-7,12-14H,2,8-11,15H2,1H3,(H3,27,30,31,32,34).
What are the key properties of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 1451.64 g/mol, XLogP of 10.61, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]urea;ethyl N-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-[2-methyl-1-(morpholin-4-ylmethyl)-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 158034729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).