6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine

C18H17ClN4 — CID 57386416

IUPAC6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCCc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11)6-2-3-12-4-5-13(8-16(12)18)14-7-15(19)10-21-9-14/h4-5,7-10H,2-3,6H2,1H3,(H2,20,23)
InChIKeyULLKDRHZBXMQBC-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.72
Rot. Bonds1

About 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine

6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine (PubChem CID 57386416) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
PubChem CID57386416
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCCc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11)6-2-3-12-4-5-13(8-16(12)18)14-7-15(19)10-21-9-14/h4-5,7-10H,2-3,6H2,1H3,(H2,20,23)
InChIKeyULLKDRHZBXMQBC-UHFFFAOYSA-N
XLogP3.72
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine (CID 57386416) is 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine is CC1=NC2(CCCc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
The InChIKey is ULLKDRHZBXMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-11-17(20)23-18(22-11)6-2-3-12-4-5-13(8-16(12)18)14-7-15(19)10-21-9-14/h4-5,7-10H,2-3,6H2,1H3,(H2,20,23).
What are the key properties of 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine?
6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine has a molecular weight of 324.82 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-pyridinyl)-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57386416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).