3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C20H23N5OS — CID 16676756

IUPAC3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2cccs2)o1
InChIInChI=1S/C20H23N5OS/c1-16-5-6-18(26-16)14-25(9-3-8-24-10-7-21-15-24)13-17-12-22-23-20(17)19-4-2-11-27-19/h2,4-7,10-12,15H,3,8-9,13-14H2,1H3,(H,22,23)
InChIKeyRFTYFZNJNZJFRJ-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.33
Rot. Bonds9

About 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 16676756) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID16676756
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2cccs2)o1
InChIInChI=1S/C20H23N5OS/c1-16-5-6-18(26-16)14-25(9-3-8-24-10-7-21-15-24)13-17-12-22-23-20(17)19-4-2-11-27-19/h2,4-7,10-12,15H,3,8-9,13-14H2,1H3,(H,22,23)
InChIKeyRFTYFZNJNZJFRJ-UHFFFAOYSA-N
XLogP4.33
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55866636
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 56016929
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 16676921
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 16676927
3-{5-[1-(2-furylmethyl)-1H-imidazol-2-yl]-2-thienyl}-1H-pyrazole
CID 56748164
3-[(5-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-2-furyl)thio]-4-methyl-4H-1,2,4-triazole
CID 56864007
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-thiophen-2-yl-1H-pyrazole
CID 141042261
6-(furan-2-yl)-3-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141151562
5-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-6-thiophen-2-yl-1H-pyrazine
CID 141203736
6-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-4H-pyridazine
CID 141203758
4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-2-thiophen-2-yl-3H-1,3-oxazole
CID 141214111

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 16676756) is 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2cccs2)o1.
What is the InChIKey of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is RFTYFZNJNZJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-16-5-6-18(26-16)14-25(9-3-8-24-10-7-21-15-24)13-17-12-22-23-20(17)19-4-2-11-27-19/h2,4-7,10-12,15H,3,8-9,13-14H2,1H3,(H,22,23).
What are the key properties of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 381.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).