1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone

C15H23N3O — CID 115944318

IUPAC1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2c1CCCC2)N1CCCCCC1
InChIInChI=1S/C15H23N3O/c19-15(17-9-5-1-2-6-10-17)11-18-12-16-13-7-3-4-8-14(13)18/h12H,1-11H2
InChIKeyOBNSKZNJQMWDQN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.16
Rot. Bonds2

About 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone

1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone (PubChem CID 115944318) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
PubChem CID115944318
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2c1CCCC2)N1CCCCCC1
InChIInChI=1S/C15H23N3O/c19-15(17-9-5-1-2-6-10-17)11-18-12-16-13-7-3-4-8-14(13)18/h12H,1-11H2
InChIKeyOBNSKZNJQMWDQN-UHFFFAOYSA-N
XLogP2.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944330
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
1-(azepan-1-yl)-2-[2-(hydroxymethyl)imidazol-1-yl]ethanone
CID 55048705
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319
1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712
1-[2-(azepan-1-yl)-2-oxoethyl]-3-chloropyrazin-2-one
CID 114561652
[2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3692305
2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 113340196
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone (CID 115944318) is 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone is O=C(Cn1cnc2c1CCCC2)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The InChIKey is OBNSKZNJQMWDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(17-9-5-1-2-6-10-17)11-18-12-16-13-7-3-4-8-14(13)18/h12H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone is sourced from PubChem (CID 115944318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).