5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one

C17H23N3O — CID 43766482

IUPAC5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NC3CCC4CCCCC4C3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c21-17-19-15-8-7-14(10-16(15)20-17)18-13-6-5-11-3-1-2-4-12(11)9-13/h7-8,10-13,18H,1-6,9H2,(H2,19,20,21)
InChIKeyZUXYPHVMJLNBMX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds2

About 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one

5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43766482) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43766482
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(NC3CCC4CCCCC4C3)cc2[nH]1
InChIInChI=1S/C17H23N3O/c21-17-19-15-8-7-14(10-16(15)20-17)18-13-6-5-11-3-1-2-4-12(11)9-13/h7-8,10-13,18H,1-6,9H2,(H2,19,20,21)
InChIKeyZUXYPHVMJLNBMX-UHFFFAOYSA-N
XLogP3.63
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031
6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723406
5-[(4-propan-2-ylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65087780
5-[(1-propylazepan-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65072952
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)phenol
CID 43771013
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246
N-(3-bromo-4-nitrophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 82862661
6-[(3-cyclopropylcyclohexyl)amino]-4H-1,4-benzoxazin-3-one
CID 64594254
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-[[2-[4-methyl-3-(trifluoromethyl)anilino]cyclopropyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 155113995
6-[(1,1-dioxothiolan-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 63162940
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43769074

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one (CID 43766482) is 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(NC3CCC4CCCCC4C3)cc2[nH]1.
What is the InChIKey of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZUXYPHVMJLNBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17-19-15-8-7-14(10-16(15)20-17)18-13-6-5-11-3-1-2-4-12(11)9-13/h7-8,10-13,18H,1-6,9H2,(H2,19,20,21).
What are the key properties of 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43766482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).