N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline

C16H18N4 — CID 22493356

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline
SMILESCc1cccnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H18N4/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15/h2-8,20H,9-11H2,1H3,(H,17,18)
InChIKeyRPXGGOSHABXVKK-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.47
Rot. Bonds4

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline (PubChem CID 22493356) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline
PubChem CID22493356
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline
SMILESCc1cccnc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H18N4/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15/h2-8,20H,9-11H2,1H3,(H,17,18)
InChIKeyRPXGGOSHABXVKK-UHFFFAOYSA-N
XLogP2.47
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline (CID 22493356) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline is Cc1cccnc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline?
The InChIKey is RPXGGOSHABXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15/h2-8,20H,9-11H2,1H3,(H,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline has a molecular weight of 266.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(3-methyl-2-pyridinyl)aniline is sourced from PubChem (CID 22493356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).