1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea

C24H25FN8O2 — CID 56643680

IUPAC1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cnc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C24H25FN8O2/c1-2-26-24(34)32-23-30-19-11-15(10-17(22(19)31-23)21-18(25)4-3-5-27-21)16-12-28-20(29-13-16)14-33-6-8-35-9-7-33/h3-5,10-13H,2,6-9,14H2,1H3,(H3,26,30,31,32,34)
InChIKeyYZLZXCLGTRJOKZ-UHFFFAOYSA-N
MW476.52 g/mol
LogP3.19
Rot. Bonds6

About 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-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 (PubChem CID 56643680) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
PubChem CID56643680
Molecular FormulaC24H25FN8O2
Molecular Weight476.52 g/mol
Exact Mass476.21
IUPAC Name1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cnc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C24H25FN8O2/c1-2-26-24(34)32-23-30-19-11-15(10-17(22(19)31-23)21-18(25)4-3-5-27-21)16-12-28-20(29-13-16)14-33-6-8-35-9-7-33/h3-5,10-13H,2,6-9,14H2,1H3,(H3,26,30,31,32,34)
InChIKeyYZLZXCLGTRJOKZ-UHFFFAOYSA-N
XLogP3.19
TPSA120.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea (CID 56643680) is 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ncccc3F)cc(-c3cnc(CN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea?
The InChIKey is YZLZXCLGTRJOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c1-2-26-24(34)32-23-30-19-11-15(10-17(22(19)31-23)21-18(25)4-3-5-27-21)16-12-28-20(29-13-16)14-33-6-8-35-9-7-33/h3-5,10-13H,2,6-9,14H2,1H3,(H3,26,30,31,32,34).
What are the key properties of 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-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 has a molecular weight of 476.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 56643680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).