1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea

C23H28N8O2 — CID 67764882

IUPAC1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(N3CCC=N3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H28N8O2/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30/h4-6,12-14H,2-3,7-11,15H2,1H3,(H3,24,27,28,29,32)
InChIKeyOUGAXWJUMQCROU-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.79
Rot. Bonds6

About 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea

1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 67764882) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID67764882
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2c(N3CCC=N3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1
InChIInChI=1S/C23H28N8O2/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30/h4-6,12-14H,2-3,7-11,15H2,1H3,(H3,24,27,28,29,32)
InChIKeyOUGAXWJUMQCROU-UHFFFAOYSA-N
XLogP2.79
TPSA110.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea with MolForge

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

Launch Full Analysis

Related Compounds

At-9283
CID 135398495
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
CID 145714274
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
1-ethyl-3-[7-(2-pyridyl)-5-(3-pyridyl)-1H-benzimidazol-2-yl]urea
CID 11428309
1-Ethyl-3-[5-(5-Fluoropyridin-3-Yl)-7-(Pyrimidin-2-Yl)-1h-Benzimidazol-2-Yl]urea
CID 11494578
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11646514
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-(piperidin-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365983
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135428039

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea (CID 67764882) is 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2c(N3CCC=N3)cc(-c3ccc(CN4CCOCC4)nc3)cc2[nH]1.
What is the InChIKey of 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is OUGAXWJUMQCROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-2-24-23(32)29-22-27-19-12-17(13-20(21(19)28-22)31-7-3-6-26-31)16-4-5-18(25-14-16)15-30-8-10-33-11-9-30/h4-6,12-14H,2-3,7-11,15H2,1H3,(H3,24,27,28,29,32).
What are the key properties of 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea?
1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 448.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydropyrazol-2-yl)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 67764882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).