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

C15H21N3 — CID 80706215

IUPACN-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCC(C)(C)C3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-16-13-5-4-11(8-14(13)17-10)18-12-6-7-15(2,3)9-12/h4-5,8,12,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyIFZKJCKERQTSLJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds2

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

N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 80706215) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID80706215
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC3CCC(C)(C)C3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-16-13-5-4-11(8-14(13)17-10)18-12-6-7-15(2,3)9-12/h4-5,8,12,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyIFZKJCKERQTSLJ-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-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine (CID 80706215) is N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine is Cc1nc2ccc(NC3CCC(C)(C)C3)cc2[nH]1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is IFZKJCKERQTSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-16-13-5-4-11(8-14(13)17-10)18-12-6-7-15(2,3)9-12/h4-5,8,12,18H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine?
N-(3,3-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-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 80706215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).