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

C16H20N4 — CID 116876786

IUPAC2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c2ccccc2c1-c1cnc(C(C)(C)CN)[nH]1
InChIInChI=1S/C16H20N4/c1-10-14(11-6-4-5-7-12(11)19-10)13-8-18-15(20-13)16(2,3)9-17/h4-8,19H,9,17H2,1-3H3,(H,18,20)
InChIKeyXBJRMHYLUJIJBD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds3

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

2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116876786) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116876786
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c2ccccc2c1-c1cnc(C(C)(C)CN)[nH]1
InChIInChI=1S/C16H20N4/c1-10-14(11-6-4-5-7-12(11)19-10)13-8-18-15(20-13)16(2,3)9-17/h4-8,19H,9,17H2,1-3H3,(H,18,20)
InChIKeyXBJRMHYLUJIJBD-UHFFFAOYSA-N
XLogP3.10
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
[4-(2-methyl-1H-indol-3-yl)-3-pyridinyl]methanamine
CID 83919208
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
CID 82292793
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
2,2-dimethyl-N'-[(2-methyl-1H-indol-3-yl)methyl]propane-1,3-diamine
CID 115200029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116876786) is 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c2ccccc2c1-c1cnc(C(C)(C)CN)[nH]1.
What is the InChIKey of 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is XBJRMHYLUJIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-14(11-6-4-5-7-12(11)19-10)13-8-18-15(20-13)16(2,3)9-17/h4-8,19H,9,17H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine?
2-methyl-2-[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 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116876786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).