N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine

C16H20N4 — CID 116876967

IUPACN-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2c(C)[nH]c3ccccc23)[nH]1
InChIInChI=1S/C16H20N4/c1-11-16(12-6-3-4-7-13(12)19-11)14-10-18-15(20-14)8-5-9-17-2/h3-4,6-7,10,17,19H,5,8-9H2,1-2H3,(H,18,20)
InChIKeyHRWOBASFPFTVLZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine

N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876967) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876967
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2c(C)[nH]c3ccccc23)[nH]1
InChIInChI=1S/C16H20N4/c1-11-16(12-6-3-4-7-13(12)19-11)14-10-18-15(20-14)8-5-9-17-2/h3-4,6-7,10,17,19H,5,8-9H2,1-2H3,(H,18,20)
InChIKeyHRWOBASFPFTVLZ-UHFFFAOYSA-N
XLogP3.02
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.02
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

3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116905269
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876967) is N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine is CNCCCc1ncc(-c2c(C)[nH]c3ccccc23)[nH]1.
What is the InChIKey of N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is HRWOBASFPFTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-16(12-6-3-4-7-13(12)19-11)14-10-18-15(20-14)8-5-9-17-2/h3-4,6-7,10,17,19H,5,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).