(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine

C21H23N5S — CID 95223891

IUPAC(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C
InChIInChI=1S/C21H23N5S/c1-15-9-12-27-20(15)17(25(2)3)13-26-14-24-18(16-7-5-4-6-8-16)19(26)21-22-10-11-23-21/h4-12,14,17H,13H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyHBOLUIVFUNCACN-QGZVFWFLSA-N
MW377.52 g/mol
LogP4.61
Rot. Bonds6

About (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine

(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 95223891) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID95223891
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C
InChIInChI=1S/C21H23N5S/c1-15-9-12-27-20(15)17(25(2)3)13-26-14-24-18(16-7-5-4-6-8-16)19(26)21-22-10-11-23-21/h4-12,14,17H,13H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyHBOLUIVFUNCACN-QGZVFWFLSA-N
XLogP4.61
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine (CID 95223891) is (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1[C@@H](Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1)N(C)C.
What is the InChIKey of (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is HBOLUIVFUNCACN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5S/c1-15-9-12-27-20(15)17(25(2)3)13-26-14-24-18(16-7-5-4-6-8-16)19(26)21-22-10-11-23-21/h4-12,14,17H,13H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine?
(1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 377.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]-N,N-dimethyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 95223891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).