7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane

C46H55Cl4N10O8PS2 — CID 161355589

About 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane

7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane (PubChem CID 161355589) has the molecular formula C46H55Cl4N10O8PS2 and a molecular weight of 1112.93 g/mol. Its IUPAC name is 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane.

Molecular Properties

• Compound Name: 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane
• PubChem CID: 161355589
• Molecular Formula: C46H55Cl4N10O8PS2
• Molecular Weight: 1112.93 g/mol
• Exact Mass: 1110.21
• IUPAC Name: 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane
• SMILES: C1CCOC1.CS(=O)(=O)CCCn1c(CO)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)nc2cc(Cl)ccc21.O=c1[nH]c2cncc(Cl)c2n1C1CC1.P
• InChI: InChI=1S/C21H21Cl2N5O3S.C12H15ClN2O3S.C9H8ClN3O.C4H8O.H3P/c1-32(30,31)8-2-7-26-17-6-3-13(22)9-16(17)25-19(26)12-27-18-11-24-10-15(23)20(18)28(21(27)29)14-4-5-14;1-19(17,18)6-2-5-15-11-4-3-9(13)7-10(11)14-12(15)8-16;10-6-3-11-4-7-8(6)13(5-1-2-5)9(14)12-7;1-2-4-5-3-1;/h3,6,9-11,14H,2,4-5,7-8,12H2,1H3;3-4,7,16H,2,5-6,8H2,1H3;3-5H,1-2H2,(H,12,14);1-4H2;1H3
• InChIKey: VOMPQCIPMPIDPQ-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 223.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.93
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane?

The IUPAC name of 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane (CID 161355589) is 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane.

What is the SMILES notation for 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane?

The canonical SMILES for 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane is C1CCOC1.CS(=O)(=O)CCCn1c(CO)nc2cc(Cl)ccc21.CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3c(Cl)cncc32)nc2cc(Cl)ccc21.O=c1[nH]c2cncc(Cl)c2n1C1CC1.P.

What is the InChIKey of 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane?

The InChIKey is VOMPQCIPMPIDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3S.C12H15ClN2O3S.C9H8ClN3O.C4H8O.H3P/c1-32(30,31)8-2-7-26-17-6-3-13(22)9-16(17)25-19(26)12-27-18-11-24-10-15(23)20(18)28(21(27)29)14-4-5-14;1-19(17,18)6-2-5-15-11-4-3-9(13)7-10(11)14-12(15)8-16;10-6-3-11-4-7-8(6)13(5-1-2-5)9(14)12-7;1-2-4-5-3-1;/h3,6,9-11,14H,2,4-5,7-8,12H2,1H3;3-4,7,16H,2,5-6,8H2,1H3;3-5H,1-2H2,(H,12,14);1-4H2;1H3.

What are the key properties of 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane?

7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane has a molecular weight of 1112.93 g/mol, XLogP of 7.86, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;7-chloro-1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methanol;oxolane;phosphane is sourced from PubChem (CID 161355589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).