1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C23H25Cl2N5O3 — CID 67034853

IUPAC1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)n1
InChIInChI=1S/C23H25Cl2N5O3/c1-32-21-4-2-3-20(28-21)30-19-12-17(25)16(24)11-18(19)27-23(30)29-8-5-14(6-9-29)22(31)26-15-7-10-33-13-15/h2-4,11-12,14-15H,5-10,13H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyDTGZSQMHQLUTJH-OAHLLOKOSA-N
MW490.39 g/mol
LogP3.86
Rot. Bonds5

About 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 67034853) has the molecular formula C23H25Cl2N5O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID67034853
Molecular FormulaC23H25Cl2N5O3
Molecular Weight490.39 g/mol
Exact Mass489.13
IUPAC Name1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)n1
InChIInChI=1S/C23H25Cl2N5O3/c1-32-21-4-2-3-20(28-21)30-19-12-17(25)16(24)11-18(19)27-23(30)29-8-5-14(6-9-29)22(31)26-15-7-10-33-13-15/h2-4,11-12,14-15H,5-10,13H2,1H3,(H,26,31)/t15-/m1/s1
InChIKeyDTGZSQMHQLUTJH-OAHLLOKOSA-N
XLogP3.86
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 67034853) is 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is COc1cccc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)n1.
What is the InChIKey of 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is DTGZSQMHQLUTJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25Cl2N5O3/c1-32-21-4-2-3-20(28-21)30-19-12-17(25)16(24)11-18(19)27-23(30)29-8-5-14(6-9-29)22(31)26-15-7-10-33-13-15/h2-4,11-12,14-15H,5-10,13H2,1H3,(H,26,31)/t15-/m1/s1.
What are the key properties of 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67034853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).