4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile

C15H11N3 — CID 14231150

IUPAC4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Cn2ccnc2)c2ccccc12
InChIInChI=1S/C15H11N3/c16-9-12-5-6-13(10-18-8-7-17-11-18)15-4-2-1-3-14(12)15/h1-8,11H,10H2
InChIKeyBLSYBYJHHMRCSI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.96
Rot. Bonds2

About 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile

4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile (PubChem CID 14231150) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile
PubChem CID14231150
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(Cn2ccnc2)c2ccccc12
InChIInChI=1S/C15H11N3/c16-9-12-5-6-13(10-18-8-7-17-11-18)15-4-2-1-3-14(12)15/h1-8,11H,10H2
InChIKeyBLSYBYJHHMRCSI-UHFFFAOYSA-N
XLogP2.96
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile (CID 14231150) is 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile is N#Cc1ccc(Cn2ccnc2)c2ccccc12.
What is the InChIKey of 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile?
The InChIKey is BLSYBYJHHMRCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-9-12-5-6-13(10-18-8-7-17-11-18)15-4-2-1-3-14(12)15/h1-8,11H,10H2.
What are the key properties of 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile?
4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 14231150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).