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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Related Compounds

[1-(1H-indol-7-yl)cyclohexyl]methanamine
CID 96801849
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
4-(aminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745267
4-[1-(aminomethyl)cyclopropyl]-3H-1,3-benzoxazol-2-one
CID 117292427
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
CID 117411533
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008

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).