[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine

C18H18N6S — CID 134421398

IUPAC[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(-c3ccc(-c4cnc(CN)[nH]4)s3)cc2)[nH]1
InChIInChI=1S/C18H18N6S/c19-7-17-21-9-13(23-17)11-1-3-12(4-2-11)15-5-6-16(25-15)14-10-22-18(8-20)24-14/h1-6,9-10H,7-8,19-20H2,(H,21,23)(H,22,24)
InChIKeySZUMHWUZYQIBMY-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.11
Rot. Bonds5

About [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine

[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine (PubChem CID 134421398) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine
PubChem CID134421398
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccc(-c3ccc(-c4cnc(CN)[nH]4)s3)cc2)[nH]1
InChIInChI=1S/C18H18N6S/c19-7-17-21-9-13(23-17)11-1-3-12(4-2-11)15-5-6-16(25-15)14-10-22-18(8-20)24-14/h1-6,9-10H,7-8,19-20H2,(H,21,23)(H,22,24)
InChIKeySZUMHWUZYQIBMY-UHFFFAOYSA-N
XLogP3.11
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
2-{[2-(1H-Imidazol-5-yl)ethyl]sulfanyl}-5-(4-propylphenyl)-1H-imidazole
CID 23275959
(3R)-1,1-Dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c] pyridine
CID 9803491
6,7-Dihydro-4-(1H-imidazole-4-yl)benzo[b]thiophene
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
1-(4-Phenylthiazol-2-yl)-4-(thiophen-2-yl)-1h-imidazol-2-amine
CID 9927279
4-[4,5-Bis(thiophen-2-YL)-1H-imidazol-2-YL]-N,N-dimethylaniline
CID 10247401
2-[3-(1H-imidazol-5-yl)propyl]-1-[2-[phenyl(pyridin-2-yl)methyl]sulfanylethyl]guanidine
CID 14113352
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
CID 14660411

Frequently Asked Questions

What is the IUPAC name of [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine (CID 134421398) is [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine is NCc1ncc(-c2ccc(-c3ccc(-c4cnc(CN)[nH]4)s3)cc2)[nH]1.
What is the InChIKey of [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine?
The InChIKey is SZUMHWUZYQIBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c19-7-17-21-9-13(23-17)11-1-3-12(4-2-11)15-5-6-16(25-15)14-10-22-18(8-20)24-14/h1-6,9-10H,7-8,19-20H2,(H,21,23)(H,22,24).
What are the key properties of [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine?
[5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine has a molecular weight of 350.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[5-[2-(aminomethyl)-1H-imidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 134421398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).