azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone

C15H19N3O — CID 110469131

IUPACazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2ccc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C15H19N3O/c1-17-11-16-13-7-6-12(10-14(13)17)15(19)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyVKTOOWZMBMSWPF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds1

About azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone

azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone (PubChem CID 110469131) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
PubChem CID110469131
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Nameazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2ccc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C15H19N3O/c1-17-11-16-13-7-6-12(10-14(13)17)15(19)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyVKTOOWZMBMSWPF-UHFFFAOYSA-N
XLogP2.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
3-methylbenzimidazole-5-carboxamide
CID 21105052
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807659
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone?
The IUPAC name of azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone (CID 110469131) is azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone is Cn1cnc2ccc(C(=O)N3CCCCCC3)cc21.
What is the InChIKey of azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone?
The InChIKey is VKTOOWZMBMSWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-11-16-13-7-6-12(10-14(13)17)15(19)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone?
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 110469131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).