4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide

C22H24Cl2N4O2 — CID 21100937

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c1-14-11-15(22(29)25-5-2-6-28-7-9-30-10-8-28)3-4-16(14)21-26-19-12-17(23)18(24)13-20(19)27-21/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyBLRFLCGWYWHPGB-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.30
Rot. Bonds6

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide

4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21100937) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21100937
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c1-14-11-15(22(29)25-5-2-6-28-7-9-30-10-8-28)3-4-16(14)21-26-19-12-17(23)18(24)13-20(19)27-21/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyBLRFLCGWYWHPGB-UHFFFAOYSA-N
XLogP4.30
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide (CID 21100937) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is BLRFLCGWYWHPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-14-11-15(22(29)25-5-2-6-28-7-9-30-10-8-28)3-4-16(14)21-26-19-12-17(23)18(24)13-20(19)27-21/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 447.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21100937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).