N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine

C23H22ClN5O2 — CID 159804956

IUPACN-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2ccc(Oc3ccc(Cl)cn3)cn2)nc2ccc(CC3COC3)cc21
InChIInChI=1S/C23H22ClN5O2/c1-29-21-9-15(8-16-13-30-14-16)2-6-20(21)28-23(29)27-11-18-4-5-19(12-25-18)31-22-7-3-17(24)10-26-22/h2-7,9-10,12,16H,8,11,13-14H2,1H3,(H,27,28)
InChIKeyNKGRWTQCFYAKHA-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.61
Rot. Bonds7

About N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine

N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine (PubChem CID 159804956) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
PubChem CID159804956
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC NameN-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2ccc(Oc3ccc(Cl)cn3)cn2)nc2ccc(CC3COC3)cc21
InChIInChI=1S/C23H22ClN5O2/c1-29-21-9-15(8-16-13-30-14-16)2-6-20(21)28-23(29)27-11-18-4-5-19(12-25-18)31-22-7-3-17(24)10-26-22/h2-7,9-10,12,16H,8,11,13-14H2,1H3,(H,27,28)
InChIKeyNKGRWTQCFYAKHA-UHFFFAOYSA-N
XLogP4.61
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine 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

N-[[4-[(5-chloro-2-pyridinyl)oxy]-2-fluorophenyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
CID 159423966
N-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-1-(oxetan-3-yl)-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
CID 160622221
N-[[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine
CID 159753280
1-methyl-6-(oxetan-3-ylmethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]benzimidazol-2-amine
CID 159591714
3-methyl-5-N-(oxetan-3-yl)-2-N-[[4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]phenyl]methyl]benzimidazole-2,5-diamine
CID 118859184
2-N-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-3-methyl-5-N-(1H-pyrazol-5-yl)benzimidazole-2,5-diamine
CID 129228526
2-[[2-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methylamino]-3-methylbenzimidazol-5-yl]amino]-2-methylpropanoic acid
CID 129228507
2-N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-5-N-(oxetan-3-yl)-3H-benzimidazole-2,5-diamine
CID 118859225
2-N-[[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]methyl]-3-methylbenzimidazole-2,5-diamine
CID 129223471
2-N-[[4-[(5-chloro-2-pyridinyl)oxymethyl]phenyl]methyl]-3-methylbenzimidazole-2,5-diamine
CID 129223487
2-[6-amino-2-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]methylamino]benzimidazol-1-yl]ethanol
CID 118859085
2-N-[[4-(6-chloroisoquinolin-1-yl)oxyphenyl]methyl]-3-methyl-5-N-(oxetan-3-yl)benzimidazole-2,5-diamine
CID 118858498

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine (CID 159804956) is N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine is Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)cn2)nc2ccc(CC3COC3)cc21.
What is the InChIKey of N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is NKGRWTQCFYAKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-29-21-9-15(8-16-13-30-14-16)2-6-20(21)28-23(29)27-11-18-4-5-19(12-25-18)31-22-7-3-17(24)10-26-22/h2-7,9-10,12,16H,8,11,13-14H2,1H3,(H,27,28).
What are the key properties of N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine?
N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 435.92 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-chloro-2-pyridinyl)oxy]-2-pyridinyl]methyl]-1-methyl-6-(oxetan-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 159804956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).