N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide

C19H24N6O2 — CID 25466206

IUPACN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
SMILESCN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-22(12-17-21-20-16-10-4-3-7-11-24(16)17)18(26)13-25-15-9-6-5-8-14(15)23(2)19(25)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGYNFUMCYJFZKBR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide

N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide (PubChem CID 25466206) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
PubChem CID25466206
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
SMILESCN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-22(12-17-21-20-16-10-4-3-7-11-24(16)17)18(26)13-25-15-9-6-5-8-14(15)23(2)19(25)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGYNFUMCYJFZKBR-UHFFFAOYSA-N
XLogP1.32
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide (CID 25466206) is N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide is CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
The InChIKey is GYNFUMCYJFZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-22(12-17-21-20-16-10-4-3-7-11-24(16)17)18(26)13-25-15-9-6-5-8-14(15)23(2)19(25)27/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide?
N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide is sourced from PubChem (CID 25466206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).