1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea

C25H26N6O4 — CID 154805885

IUPAC1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
SMILESCOc1cc(C(=O)NNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)ccc1OC(C)C
InChIInChI=1S/C25H26N6O4/c1-16(2)35-21-10-9-18(12-22(21)34-3)24(32)29-30-25(33)27-14-17-8-11-23(26-13-17)31-15-28-19-6-4-5-7-20(19)31/h4-13,15-16H,14H2,1-3H3,(H,29,32)(H2,27,30,33)
InChIKeyOZHJNTODKRYZHR-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.36
Rot. Bonds7

About 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea

1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea (PubChem CID 154805885) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
PubChem CID154805885
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
SMILESCOc1cc(C(=O)NNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)ccc1OC(C)C
InChIInChI=1S/C25H26N6O4/c1-16(2)35-21-10-9-18(12-22(21)34-3)24(32)29-30-25(33)27-14-17-8-11-23(26-13-17)31-15-28-19-6-4-5-7-20(19)31/h4-13,15-16H,14H2,1-3H3,(H,29,32)(H2,27,30,33)
InChIKeyOZHJNTODKRYZHR-UHFFFAOYSA-N
XLogP3.36
TPSA119.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea 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

1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55794671
N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46429428
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]urea
CID 55794851
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
CID 49046064
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
methyl 6-(benzimidazol-1-yl)pyridine-3-carboxylate
CID 4298771
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea?
The IUPAC name of 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea (CID 154805885) is 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea.
What is the SMILES notation for 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea?
The canonical SMILES for 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea is COc1cc(C(=O)NNC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)ccc1OC(C)C.
What is the InChIKey of 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea?
The InChIKey is OZHJNTODKRYZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-16(2)35-21-10-9-18(12-22(21)34-3)24(32)29-30-25(33)27-14-17-8-11-23(26-13-17)31-15-28-19-6-4-5-7-20(19)31/h4-13,15-16H,14H2,1-3H3,(H,29,32)(H2,27,30,33).
What are the key properties of 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea?
1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea has a molecular weight of 474.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea is sourced from PubChem (CID 154805885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).