5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H21N3O2 — CID 65081705

IUPAC5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-10(16-12-3-2-7-20-8-6-12)11-4-5-13-14(9-11)18-15(19)17-13/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H2,17,18,19)
InChIKeyFVVMVDJYICSHNI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds3

About 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 65081705) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID65081705
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NC1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-10(16-12-3-2-7-20-8-6-12)11-4-5-13-14(9-11)18-15(19)17-13/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H2,17,18,19)
InChIKeyFVVMVDJYICSHNI-UHFFFAOYSA-N
XLogP2.08
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167769505
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-[(1-methyl-6-oxopiperidin-3-yl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 64656122
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
5-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201388
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 65081705) is 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NC1CCCOCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FVVMVDJYICSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(16-12-3-2-7-20-8-6-12)11-4-5-13-14(9-11)18-15(19)17-13/h4-5,9-10,12,16H,2-3,6-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 65081705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).