(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine

C21H23N5 — CID 170196510

IUPAC(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
SMILESN/C=C(\N)c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
InChIInChI=1S/C21H23N5/c22-11-19(23)16-8-9-24-20(10-16)21-13-26(14-25-21)12-17-6-3-5-15-4-1-2-7-18(15)17/h1-2,4,7-11,13-14,17H,3,5-6,12,22-23H2/b19-11-
InChIKeyVZYFTLPEHPSKKX-ODLFYWEKSA-N
MW345.45 g/mol
LogP3.28
Rot. Bonds4

About (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine

(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine (PubChem CID 170196510) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
PubChem CID170196510
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
SMILESN/C=C(\N)c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
InChIInChI=1S/C21H23N5/c22-11-19(23)16-8-9-24-20(10-16)21-13-26(14-25-21)12-17-6-3-5-15-4-1-2-7-18(15)17/h1-2,4,7-11,13-14,17H,3,5-6,12,22-23H2/b19-11-
InChIKeyVZYFTLPEHPSKKX-ODLFYWEKSA-N
XLogP3.28
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine (CID 170196510) is (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine is N/C=C(\N)c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1.
What is the InChIKey of (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine?
The InChIKey is VZYFTLPEHPSKKX-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H23N5/c22-11-19(23)16-8-9-24-20(10-16)21-13-26(14-25-21)12-17-6-3-5-15-4-1-2-7-18(15)17/h1-2,4,7-11,13-14,17H,3,5-6,12,22-23H2/b19-11-.
What are the key properties of (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine?
(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine has a molecular weight of 345.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine is sourced from PubChem (CID 170196510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).