5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C14H19N3O2 — CID 115239763

IUPAC5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCC3CCC(O)CC3)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c18-11-4-1-9(2-5-11)8-15-10-3-6-12-13(7-10)17-14(19)16-12/h3,6-7,9,11,15,18H,1-2,4-5,8H2,(H2,16,17,19)
InChIKeyAOPOHMLLODPTCW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.82
Rot. Bonds3

About 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115239763) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115239763
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NCC3CCC(O)CC3)cc2[nH]1
InChIInChI=1S/C14H19N3O2/c18-11-4-1-9(2-5-11)8-15-10-3-6-12-13(7-10)17-14(19)16-12/h3,6-7,9,11,15,18H,1-2,4-5,8H2,(H2,16,17,19)
InChIKeyAOPOHMLLODPTCW-UHFFFAOYSA-N
XLogP1.82
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxycyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928496
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
2-chloro-4-[(4-hydroxycyclohexyl)methylamino]benzoic acid
CID 106137645
5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031
4-[(4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106130891
4-[(4-methyl-3-nitroanilino)methyl]cyclohexan-1-ol
CID 106130779
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246
4-[(3-methoxy-4-nitroanilino)methyl]cyclohexan-1-ol
CID 106130927
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 115239763) is 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NCC3CCC(O)CC3)cc2[nH]1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AOPOHMLLODPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-11-4-1-9(2-5-11)8-15-10-3-6-12-13(7-10)17-14(19)16-12/h3,6-7,9,11,15,18H,1-2,4-5,8H2,(H2,16,17,19).
What are the key properties of 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115239763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).