N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine

C15H21N3 — CID 79860507

IUPACN-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCC3(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-16-12-7-6-11(9-13(12)17-10)18-14-5-4-8-15(14,2)3/h6-7,9,14,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyFAZULEMYKNIUQM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine

N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 79860507) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID79860507
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCCC3(C)C)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-16-12-7-6-11(9-13(12)17-10)18-14-5-4-8-15(14,2)3/h6-7,9,14,18H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyFAZULEMYKNIUQM-UHFFFAOYSA-N
XLogP3.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine (CID 79860507) is N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CCCC3(C)C)cc2[nH]1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is FAZULEMYKNIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-16-12-7-6-11(9-13(12)17-10)18-14-5-4-8-15(14,2)3/h6-7,9,14,18H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 79860507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).