N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline

C14H19N3O — CID 59728062

IUPACN-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(N(Cc2cnc[nH]2)C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-4-6-14(18-3)7-5-13/h4-8,10-11H,9H2,1-3H3,(H,15,16)
InChIKeyWVVVJKFSBIWQSW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline (PubChem CID 59728062) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline
PubChem CID59728062
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline
SMILESCOc1ccc(N(Cc2cnc[nH]2)C(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-4-6-14(18-3)7-5-13/h4-8,10-11H,9H2,1-3H3,(H,15,16)
InChIKeyWVVVJKFSBIWQSW-UHFFFAOYSA-N
XLogP2.83
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline (CID 59728062) is N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline is COc1ccc(N(Cc2cnc[nH]2)C(C)C)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline?
The InChIKey is WVVVJKFSBIWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17(9-12-8-15-10-16-12)13-4-6-14(18-3)7-5-13/h4-8,10-11H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline has a molecular weight of 245.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-4-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 59728062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).