3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C23H25Cl3N4O2 — CID 83289032

IUPAC3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCOCC1
InChIInChI=1S/C23H25Cl3N4O2/c24-17-4-2-1-3-16(17)13-22-28-20-14-18(25)19(26)15-21(20)30(22)7-5-23(31)27-6-8-29-9-11-32-12-10-29/h1-4,14-15H,5-13H2,(H,27,31)
InChIKeyXOOCILRCVHISBK-UHFFFAOYSA-N
MW495.84 g/mol
LogP4.43
Rot. Bonds8

About 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 83289032) has the molecular formula C23H25Cl3N4O2 and a molecular weight of 495.84 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID83289032
Molecular FormulaC23H25Cl3N4O2
Molecular Weight495.84 g/mol
Exact Mass494.10
IUPAC Name3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCOCC1
InChIInChI=1S/C23H25Cl3N4O2/c24-17-4-2-1-3-16(17)13-22-28-20-14-18(25)19(26)15-21(20)30(22)7-5-23(31)27-6-8-29-9-11-32-12-10-29/h1-4,14-15H,5-13H2,(H,27,31)
InChIKeyXOOCILRCVHISBK-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 83289032) is 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NCCN1CCOCC1.
What is the InChIKey of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is XOOCILRCVHISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N4O2/c24-17-4-2-1-3-16(17)13-22-28-20-14-18(25)19(26)15-21(20)30(22)7-5-23(31)27-6-8-29-9-11-32-12-10-29/h1-4,14-15H,5-13H2,(H,27,31).
What are the key properties of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 495.84 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 83289032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).