N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane

C36H35ClN8O4 — CID 169169215

About N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane

N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane (PubChem CID 169169215) has the molecular formula C36H35ClN8O4 and a molecular weight of 679.18 g/mol. Its IUPAC name is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane.

Molecular Properties

• Compound Name: N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane
• PubChem CID: 169169215
• Molecular Formula: C36H35ClN8O4
• Molecular Weight: 679.18 g/mol
• Exact Mass: 678.25
• IUPAC Name: N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane
• SMILES: C[C@@H]1CCO1.O=C(Nc1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(Cl)cn5)n4)CC3)[nH]c2c1)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C32H27ClN8O3.C4H8O/c33-21-5-6-23(34-16-21)18-44-30-3-1-2-24(38-30)19-10-12-41(13-11-19)17-29-36-25-9-7-22(15-28(25)37-29)35-31(42)20-4-8-26-27(14-20)40-32(43)39-26;1-4-2-3-5-4/h1-10,14-16H,11-13,17-18H2,(H,35,42)(H,36,37)(H2,39,40,43);4H,2-3H2,1H3/t;4-/m.1/s1
• InChIKey: BGZSIPWOECIYNR-FZSMXKCYSA-N
• XLogP: 6.09
• TPSA: 153.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.18
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane?

The IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane (CID 169169215) is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane.

What is the SMILES notation for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane?

The canonical SMILES for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane is C[C@@H]1CCO1.O=C(Nc1ccc2nc(CN3CC=C(c4cccc(OCc5ccc(Cl)cn5)n4)CC3)[nH]c2c1)c1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane?

The InChIKey is BGZSIPWOECIYNR-FZSMXKCYSA-N. The full InChI is InChI=1S/C32H27ClN8O3.C4H8O/c33-21-5-6-23(34-16-21)18-44-30-3-1-2-24(38-30)19-10-12-41(13-11-19)17-29-36-25-9-7-22(15-28(25)37-29)35-31(42)20-4-8-26-27(14-20)40-32(43)39-26;1-4-2-3-5-4/h1-10,14-16H,11-13,17-18H2,(H,35,42)(H,36,37)(H2,39,40,43);4H,2-3H2,1H3/t;4-/m.1/s1.

What are the key properties of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane?

N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane has a molecular weight of 679.18 g/mol, XLogP of 6.09, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane is sourced from PubChem (CID 169169215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).