N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline

C14H17N5 — CID 22493381

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
SMILESCn1cc(-c2ccccc2NCC2=NCCN2)cn1
InChIInChI=1S/C14H17N5/c1-19-10-11(8-18-19)12-4-2-3-5-13(12)17-9-14-15-6-7-16-14/h2-5,8,10,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyKEHDGXFGMIOLCR-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.50
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline (PubChem CID 22493381) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
PubChem CID22493381
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
SMILESCn1cc(-c2ccccc2NCC2=NCCN2)cn1
InChIInChI=1S/C14H17N5/c1-19-10-11(8-18-19)12-4-2-3-5-13(12)17-9-14-15-6-7-16-14/h2-5,8,10,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyKEHDGXFGMIOLCR-UHFFFAOYSA-N
XLogP1.50
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline (CID 22493381) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline is Cn1cc(-c2ccccc2NCC2=NCCN2)cn1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline?
The InChIKey is KEHDGXFGMIOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-19-10-11(8-18-19)12-4-2-3-5-13(12)17-9-14-15-6-7-16-14/h2-5,8,10,17H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline has a molecular weight of 255.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline is sourced from PubChem (CID 22493381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).