4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide

C23H28N4O2 — CID 38099080

IUPAC4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21
InChIInChI=1S/C23H28N4O2/c1-25-20-12-11-19(15-21(20)26(2)23(25)29)24-22(28)18-9-7-17(8-10-18)16-27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)
InChIKeyLJOXUJBLGZGWIE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.51
Rot. Bonds4

About 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide

4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide (PubChem CID 38099080) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
PubChem CID38099080
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21
InChIInChI=1S/C23H28N4O2/c1-25-20-12-11-19(15-21(20)26(2)23(25)29)24-22(28)18-9-7-17(8-10-18)16-27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)
InChIKeyLJOXUJBLGZGWIE-UHFFFAOYSA-N
XLogP3.51
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide (CID 38099080) is 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide is Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
The InChIKey is LJOXUJBLGZGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25-20-12-11-19(15-21(20)26(2)23(25)29)24-22(28)18-9-7-17(8-10-18)16-27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide?
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 38099080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).