N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline

C19H22N4 — CID 59728020

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(CCc2ccncc2)cc1
InChIInChI=1S/C19H22N4/c1-2-23(14-18-13-21-15-22-18)19-7-5-16(6-8-19)3-4-17-9-11-20-12-10-17/h5-13,15H,2-4,14H2,1H3,(H,21,22)
InChIKeyKVDOTNDRZUNVQR-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline

N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline (PubChem CID 59728020) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline
PubChem CID59728020
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(CCc2ccncc2)cc1
InChIInChI=1S/C19H22N4/c1-2-23(14-18-13-21-15-22-18)19-7-5-16(6-8-19)3-4-17-9-11-20-12-10-17/h5-13,15H,2-4,14H2,1H3,(H,21,22)
InChIKeyKVDOTNDRZUNVQR-UHFFFAOYSA-N
XLogP3.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline (CID 59728020) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline is CCN(Cc1cnc[nH]1)c1ccc(CCc2ccncc2)cc1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline?
The InChIKey is KVDOTNDRZUNVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-23(14-18-13-21-15-22-18)19-7-5-16(6-8-19)3-4-17-9-11-20-12-10-17/h5-13,15H,2-4,14H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline has a molecular weight of 306.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 59728020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).