5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C17H25N3O2 — CID 111459413

IUPAC5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1(O)CCCCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H25N3O2/c1-12(18-11-17(22)8-4-2-3-5-9-17)13-6-7-14-15(10-13)20-16(21)19-14/h6-7,10,12,18,22H,2-5,8-9,11H2,1H3,(H2,19,20,21)
InChIKeyABTOFSSJHCQPLP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.59
Rot. Bonds4

About 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 111459413) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID111459413
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC1(O)CCCCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H25N3O2/c1-12(18-11-17(22)8-4-2-3-5-9-17)13-6-7-14-15(10-13)20-16(21)19-14/h6-7,10,12,18,22H,2-5,8-9,11H2,1H3,(H2,19,20,21)
InChIKeyABTOFSSJHCQPLP-UHFFFAOYSA-N
XLogP2.59
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
6-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 65105217
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 60867027
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 111459413) is 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCC1(O)CCCCCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ABTOFSSJHCQPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(18-11-17(22)8-4-2-3-5-9-17)13-6-7-14-15(10-13)20-16(21)19-14/h6-7,10,12,18,22H,2-5,8-9,11H2,1H3,(H2,19,20,21).
What are the key properties of 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 111459413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).