[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine

C15H21N3 — CID 107184982

IUPAC[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
SMILESCC1(C)CCCC1c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyIHMFCOCEOBTDHG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.32
Rot. Bonds2

About [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine

[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 107184982) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID107184982
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
SMILESCC1(C)CCCC1c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyIHMFCOCEOBTDHG-UHFFFAOYSA-N
XLogP3.32
TPSA54.70 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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylcyclopentyl)-3H-benzimidazole-5-carbonitrile
CID 107184925
2-(2,2-dimethylcyclopropyl)-6-ethyl-1H-benzimidazole
CID 107002122
[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004144
2-(2,2-dimethylcyclopentyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 107180172
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
CID 107180154
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
[2-(thian-4-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 83135372
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117391802

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine (CID 107184982) is [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine is CC1(C)CCCC1c1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is IHMFCOCEOBTDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2)7-3-4-11(15)14-17-12-6-5-10(9-16)8-13(12)18-14/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine?
[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 107184982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).