1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

C24H24N6O2 — CID 88562201

IUPAC1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(CNC)c(C=O)c3)cc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-3-26-24(32)30-23-28-21-12-17(15-7-8-16(13-25-2)18(10-15)14-31)11-19(22(21)29-23)20-6-4-5-9-27-20/h4-12,14,25H,3,13H2,1-2H3,(H3,26,28,29,30,32)
InChIKeyGHABNGVEOZVZOX-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.97
Rot. Bonds7

About 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea

1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (PubChem CID 88562201) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
PubChem CID88562201
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(CNC)c(C=O)c3)cc2[nH]1
InChIInChI=1S/C24H24N6O2/c1-3-26-24(32)30-23-28-21-12-17(15-7-8-16(13-25-2)18(10-15)14-31)11-19(22(21)29-23)20-6-4-5-9-27-20/h4-12,14,25H,3,13H2,1-2H3,(H3,26,28,29,30,32)
InChIKeyGHABNGVEOZVZOX-UHFFFAOYSA-N
XLogP3.97
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate
CID 88883631
1-ethyl-3-[6-(1λ3-iodacyclohexa-1,3,5-trien-3-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 163506723
1-ethyl-3-[6-[1-[(4-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 71232460
1-ethyl-3-[6-(pyridin-2-ylmethylamino)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 16718075
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
CID 89325071
CID 89325071
1-ethyl-3-[6-(5-fluoro-3-pyridinyl)-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 11494578
1-ethyl-3-[6-[6-(2-methyl-1-methyliminopropan-2-yl)-3-pyridinyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea
CID 163806183
1-[4-[4-[(dimethylamino)methyl]-2-pyridinyl]-6-(5-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 67764910
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[(2-methylpropylamino)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11655559
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 71232480
1-[6-[5-cyano-6-(methylamino)-3-pyridinyl]-4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 58023218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea (CID 88562201) is 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2c(-c3ccccn3)cc(-c3ccc(CNC)c(C=O)c3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
The InChIKey is GHABNGVEOZVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-26-24(32)30-23-28-21-12-17(15-7-8-16(13-25-2)18(10-15)14-31)11-19(22(21)29-23)20-6-4-5-9-27-20/h4-12,14,25H,3,13H2,1-2H3,(H3,26,28,29,30,32).
What are the key properties of 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 428.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[3-formyl-4-(methylaminomethyl)phenyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 88562201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).