2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine

C15H21N3 — CID 82762765

IUPAC2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCc1ccc2c(c1)nc(C1(C)CCCC1N)n2C
InChIInChI=1S/C15H21N3/c1-10-6-7-12-11(9-10)17-14(18(12)3)15(2)8-4-5-13(15)16/h6-7,9,13H,4-5,8,16H2,1-3H3
InChIKeyCNIJCAPEPSVGHT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.65
Rot. Bonds1

About 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine

2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 82762765) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID82762765
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCc1ccc2c(c1)nc(C1(C)CCCC1N)n2C
InChIInChI=1S/C15H21N3/c1-10-6-7-12-11(9-10)17-14(18(12)3)15(2)8-4-5-13(15)16/h6-7,9,13H,4-5,8,16H2,1-3H3
InChIKeyCNIJCAPEPSVGHT-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine (CID 82762765) is 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine is Cc1ccc2c(c1)nc(C1(C)CCCC1N)n2C.
What is the InChIKey of 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is CNIJCAPEPSVGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-7-12-11(9-10)17-14(18(12)3)15(2)8-4-5-13(15)16/h6-7,9,13H,4-5,8,16H2,1-3H3.
What are the key properties of 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine?
2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylbenzimidazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82762765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).