2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine

C17H27N3 — CID 82333157

IUPAC2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(c1)nc(CCNCC(C)C)n2C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)11-18-9-8-17-19-15-10-14(5)6-7-16(15)20(17)13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeyTXYDVLFOEPICFT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.71
Rot. Bonds6

About 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine

2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82333157) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82333157
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCc1ccc2c(c1)nc(CCNCC(C)C)n2C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)11-18-9-8-17-19-15-10-14(5)6-7-16(15)20(17)13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeyTXYDVLFOEPICFT-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60835528
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
CID 82333162
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
(5-methyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 60784993
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82332245
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[2-(5-ethoxy-1-methylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82334825
2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843335
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 82333157) is 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is Cc1ccc2c(c1)nc(CCNCC(C)C)n2C(C)C.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is TXYDVLFOEPICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)11-18-9-8-17-19-15-10-14(5)6-7-16(15)20(17)13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82333157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).