1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide

C18H20N6O2 — CID 146458550

IUPAC1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O2/c25-17(21-7-5-15-9-19-11-23-15)13-1-2-14(4-3-13)18(26)22-8-6-16-10-20-12-24-16/h1-4,9-12H,5-8H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyLNYCWKAPVGWLRX-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.08
Rot. Bonds8

About 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 146458550) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID146458550
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H20N6O2/c25-17(21-7-5-15-9-19-11-23-15)13-1-2-14(4-3-13)18(26)22-8-6-16-10-20-12-24-16/h1-4,9-12H,5-8H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyLNYCWKAPVGWLRX-UHFFFAOYSA-N
XLogP1.08
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-5-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 5714572
3-[(Z)-(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714570
(3Z)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 5714571
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 11165629
6-((2-(1H-Imidazol-5-yl)ethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
CID 124846
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
3-[(Z)-(2-methyl-1H-imidazol-4-yl)methylidene]-1H-indol-2-one
CID 5714575
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
Nalpha-Cinnamoylhistamine
CID 5475190
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]benzamide
CID 134369552
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide (CID 146458550) is 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide is O=C(NCCc1cnc[nH]1)c1ccc(C(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is LNYCWKAPVGWLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-17(21-7-5-15-9-19-11-23-15)13-1-2-14(4-3-13)18(26)22-8-6-16-10-20-12-24-16/h1-4,9-12H,5-8H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(1H-imidazol-5-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 146458550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).