1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine

C16H19N5 — CID 141069317

IUPAC1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1[nH]cc(-c2ncc[nH]2)c1C(C)NCc1ccncc1
InChIInChI=1S/C16H19N5/c1-11(20-9-13-3-5-17-6-4-13)15-12(2)21-10-14(15)16-18-7-8-19-16/h3-8,10-11,20-21H,9H2,1-2H3,(H,18,19)
InChIKeyXOFNXMDFCODXFH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds5

About 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine

1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 141069317) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID141069317
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1[nH]cc(-c2ncc[nH]2)c1C(C)NCc1ccncc1
InChIInChI=1S/C16H19N5/c1-11(20-9-13-3-5-17-6-4-13)15-12(2)21-10-14(15)16-18-7-8-19-16/h3-8,10-11,20-21H,9H2,1-2H3,(H,18,19)
InChIKeyXOFNXMDFCODXFH-UHFFFAOYSA-N
XLogP2.96
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine (CID 141069317) is 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine is Cc1[nH]cc(-c2ncc[nH]2)c1C(C)NCc1ccncc1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is XOFNXMDFCODXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(20-9-13-3-5-17-6-4-13)15-12(2)21-10-14(15)16-18-7-8-19-16/h3-8,10-11,20-21H,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine?
1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)-2-methyl-1H-pyrrol-3-yl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 141069317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).