4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O — CID 117365497

IUPAC4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
SMILESNCC1(c2cccc3[nH]c(=O)[nH]c23)CCCCC1
InChIInChI=1S/C14H19N3O/c15-9-14(7-2-1-3-8-14)10-5-4-6-11-12(10)17-13(18)16-11/h4-6H,1-3,7-9,15H2,(H2,16,17,18)
InChIKeyHARRUOSABPCZJB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.02
Rot. Bonds2

About 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one

4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 117365497) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID117365497
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
SMILESNCC1(c2cccc3[nH]c(=O)[nH]c23)CCCCC1
InChIInChI=1S/C14H19N3O/c15-9-14(7-2-1-3-8-14)10-5-4-6-11-12(10)17-13(18)16-11/h4-6H,1-3,7-9,15H2,(H2,16,17,18)
InChIKeyHARRUOSABPCZJB-UHFFFAOYSA-N
XLogP2.02
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one (CID 117365497) is 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one is NCC1(c2cccc3[nH]c(=O)[nH]c23)CCCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HARRUOSABPCZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-14(7-2-1-3-8-14)10-5-4-6-11-12(10)17-13(18)16-11/h4-6H,1-3,7-9,15H2,(H2,16,17,18).
What are the key properties of 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one?
4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 117365497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).