6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide

C23H20Cl2N4O3 — CID 159095910

IUPAC6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H20Cl2N4O3/c24-13-2-8-19-12(9-13)10-20(32-19)22(30)26-15-3-5-16(6-4-15)27-23(31)21-28-17-7-1-14(25)11-18(17)29-21/h1-2,7-11,15-16H,3-6H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeyKCQXJZSZQBQERJ-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.09
Rot. Bonds4

About 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide

6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide (PubChem CID 159095910) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
PubChem CID159095910
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C23H20Cl2N4O3/c24-13-2-8-19-12(9-13)10-20(32-19)22(30)26-15-3-5-16(6-4-15)27-23(31)21-28-17-7-1-14(25)11-18(17)29-21/h1-2,7-11,15-16H,3-6H2,(H,26,30)(H,27,31)(H,28,29)
InChIKeyKCQXJZSZQBQERJ-UHFFFAOYSA-N
XLogP5.09
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide (CID 159095910) is 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide is O=C(NC1CCC(NC(=O)c2cc3cc(Cl)ccc3o2)CC1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is KCQXJZSZQBQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c24-13-2-8-19-12(9-13)10-20(32-19)22(30)26-15-3-5-16(6-4-15)27-23(31)21-28-17-7-1-14(25)11-18(17)29-21/h1-2,7-11,15-16H,3-6H2,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide?
6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 159095910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).