N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline

C16H19N3 — CID 43678392

IUPACN-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2ccnc2)c1
InChIInChI=1S/C16H19N3/c1-2-14(10-15(3-1)19-9-8-17-11-19)18-16(12-4-5-12)13-6-7-13/h1-3,8-13,16,18H,4-7H2
InChIKeyXDTWPGLEPQMFEF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline

N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline (PubChem CID 43678392) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
PubChem CID43678392
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2ccnc2)c1
InChIInChI=1S/C16H19N3/c1-2-14(10-15(3-1)19-9-8-17-11-19)18-16(12-4-5-12)13-6-7-13/h1-3,8-13,16,18H,4-7H2
InChIKeyXDTWPGLEPQMFEF-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692010
N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline
CID 43733049
3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63428404
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
1-[3-(sulfamoylamino)phenyl]imidazole
CID 112573328
3-imidazol-1-yl-N-(4-propylcyclohexyl)aniline
CID 43678288
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline (CID 43678392) is N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline is c1cc(NC(C2CC2)C2CC2)cc(-n2ccnc2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline?
The InChIKey is XDTWPGLEPQMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-14(10-15(3-1)19-9-8-17-11-19)18-16(12-4-5-12)13-6-7-13/h1-3,8-13,16,18H,4-7H2.
What are the key properties of N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline?
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline is sourced from PubChem (CID 43678392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).