2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C13H15N5 — CID 66413704

IUPAC2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1cnc2[nH]cc(CNCCn3ccnc3)c2c1
InChIInChI=1S/C13H15N5/c1-2-12-11(9-17-13(12)16-3-1)8-14-4-6-18-7-5-15-10-18/h1-3,5,7,9-10,14H,4,6,8H2,(H,16,17)
InChIKeyPZSLAPRHQBVZDC-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.55
Rot. Bonds5

About 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 66413704) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID66413704
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1cnc2[nH]cc(CNCCn3ccnc3)c2c1
InChIInChI=1S/C13H15N5/c1-2-12-11(9-17-13(12)16-3-1)8-14-4-6-18-7-5-15-10-18/h1-3,5,7,9-10,14H,4,6,8H2,(H,16,17)
InChIKeyPZSLAPRHQBVZDC-UHFFFAOYSA-N
XLogP1.55
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propan-1-amine
CID 59506750
2-(4-methylpiperazin-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66414470
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-imidazol-1-ylethanamine
CID 80648565
N-[(5-chloroquinolin-8-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 115697270
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanesulfonamide
CID 114174786

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 66413704) is 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is c1cnc2[nH]cc(CNCCn3ccnc3)c2c1.
What is the InChIKey of 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is PZSLAPRHQBVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-12-11(9-17-13(12)16-3-1)8-14-4-6-18-7-5-15-10-18/h1-3,5,7,9-10,14H,4,6,8H2,(H,16,17).
What are the key properties of 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 241.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 66413704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).