azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

C19H25N3O — CID 113200979

IUPACazepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)N1CCCCCC1)CC3
InChIInChI=1S/C19H25N3O/c1-14-6-9-18-20-16-8-7-15(12-17(16)22(18)13-14)19(23)21-10-4-2-3-5-11-21/h6,9,13,15H,2-5,7-8,10-12H2,1H3
InChIKeyTWFNBKGDICJSBN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.15
Rot. Bonds1

About azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone

azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (PubChem CID 113200979) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
PubChem CID113200979
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Nameazepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
SMILESCc1ccc2nc3c(n2c1)CC(C(=O)N1CCCCCC1)CC3
InChIInChI=1S/C19H25N3O/c1-14-6-9-18-20-16-8-7-15(12-17(16)22(18)13-14)19(23)21-10-4-2-3-5-11-21/h6,9,13,15H,2-5,7-8,10-12H2,1H3
InChIKeyTWFNBKGDICJSBN-UHFFFAOYSA-N
XLogP3.15
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113200908
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113201061
N-(4-fluorophenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201005
2-methyl-N-(3-methylbutyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200971
N-(3-chloro-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201012
2-methyl-N-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200923
N-(3-bromo-4-methylphenyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113201018
8-tert-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 113303186
N-[(2-methoxyphenyl)methyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200932
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone
CID 113201144
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 90640304
6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
CID 102567441

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The IUPAC name of azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone (CID 113200979) is azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The canonical SMILES for azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is Cc1ccc2nc3c(n2c1)CC(C(=O)N1CCCCCC1)CC3.
What is the InChIKey of azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
The InChIKey is TWFNBKGDICJSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-6-9-18-20-16-8-7-15(12-17(16)22(18)13-14)19(23)21-10-4-2-3-5-11-21/h6,9,13,15H,2-5,7-8,10-12H2,1H3.
What are the key properties of azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone?
azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-8-yl)methanone is sourced from PubChem (CID 113200979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).