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

C17H27N3 — CID 60835528

IUPAC2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESCc1ccc2c(c1)nc(CCNC(C)(C)C)n2C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)20-15-8-7-13(3)11-14(15)19-16(20)9-10-18-17(4,5)6/h7-8,11-12,18H,9-10H2,1-6H3
InChIKeyPPLZJHBBANYZBZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds4

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

2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 60835528) 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-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID60835528
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-2-amine
SMILESCc1ccc2c(c1)nc(CCNC(C)(C)C)n2C(C)C
InChIInChI=1S/C17H27N3/c1-12(2)20-15-8-7-13(3)11-14(15)19-16(20)9-10-18-17(4,5)6/h7-8,11-12,18H,9-10H2,1-6H3
InChIKeyPPLZJHBBANYZBZ-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 60785148
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
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
N-[2-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334457
4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62048134
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine (CID 60835528) is 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine is Cc1ccc2c(c1)nc(CCNC(C)(C)C)n2C(C)C.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is PPLZJHBBANYZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12(2)20-15-8-7-13(3)11-14(15)19-16(20)9-10-18-17(4,5)6/h7-8,11-12,18H,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 4 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-2-amine is sourced from PubChem (CID 60835528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).