2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile

C18H17N3O — CID 86155680

IUPAC2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(CCCOc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H17N3O/c19-10-9-16-13-20-18(21-16)6-3-11-22-17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12-13H,3,6,9,11H2,(H,20,21)
InChIKeyNRYYKVLIKLHQSB-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.64
Rot. Bonds6

About 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile

2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile (PubChem CID 86155680) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile
PubChem CID86155680
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile
SMILESN#CCc1cnc(CCCOc2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H17N3O/c19-10-9-16-13-20-18(21-16)6-3-11-22-17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12-13H,3,6,9,11H2,(H,20,21)
InChIKeyNRYYKVLIKLHQSB-UHFFFAOYSA-N
XLogP3.64
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpropoxy)naphthalene
CID 13432986
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
2-(5-butyl-1H-imidazol-2-yl)acetonitrile
CID 139638444
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2,6-dichloro-4-(2-naphthalen-2-yloxyethoxy)benzonitrile
CID 19004507
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile (CID 86155680) is 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile is N#CCc1cnc(CCCOc2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile?
The InChIKey is NRYYKVLIKLHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-10-9-16-13-20-18(21-16)6-3-11-22-17-8-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-8,12-13H,3,6,9,11H2,(H,20,21).
What are the key properties of 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile?
2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile has a molecular weight of 291.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-naphthalen-2-yloxypropyl)-1H-imidazol-5-yl]acetonitrile is sourced from PubChem (CID 86155680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).