3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine

C15H18N4 — CID 102912104

IUPAC3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine
SMILESc1c[nH]c(CCCNCc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C15H18N4/c1(2-15-18-8-9-19-15)6-16-11-12-3-4-14-13(10-12)5-7-17-14/h3-5,7-10,16-17H,1-2,6,11H2,(H,18,19)
InChIKeyQRGCDUJKJXPLAC-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.61
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine

3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine (PubChem CID 102912104) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine
PubChem CID102912104
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine
SMILESc1c[nH]c(CCCNCc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C15H18N4/c1(2-15-18-8-9-19-15)6-16-11-12-3-4-14-13(10-12)5-7-17-14/h3-5,7-10,16-17H,1-2,6,11H2,(H,18,19)
InChIKeyQRGCDUJKJXPLAC-UHFFFAOYSA-N
XLogP2.61
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-imidazol-2-ylmethyl)-1H-indole
CID 66707386
N-(1H-indol-5-ylmethyl)pent-4-yn-1-amine
CID 106220402
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
N-[(4-bromo-3-chlorophenyl)methyl]-2-(1H-imidazol-2-yl)ethanamine
CID 114076658
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102910898
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
1-[3-(1H-indol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 17221800
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
CID 106937408
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine (CID 102912104) is 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine is c1c[nH]c(CCCNCc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine?
The InChIKey is QRGCDUJKJXPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1(2-15-18-8-9-19-15)6-16-11-12-3-4-14-13(10-12)5-7-17-14/h3-5,7-10,16-17H,1-2,6,11H2,(H,18,19).
What are the key properties of 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine?
3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine has a molecular weight of 254.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 102912104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).