[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine

C17H25N3 — CID 117431672

IUPAC[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
SMILESCC(C)(C)c1nc2ccc(C3(CN)CCCC3)cc2[nH]1
InChIInChI=1S/C17H25N3/c1-16(2,3)15-19-13-7-6-12(10-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20)
InChIKeySMMKZGWEAHKYGM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds2

About [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine

[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine (PubChem CID 117431672) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
PubChem CID117431672
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
SMILESCC(C)(C)c1nc2ccc(C3(CN)CCCC3)cc2[nH]1
InChIInChI=1S/C17H25N3/c1-16(2,3)15-19-13-7-6-12(10-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20)
InChIKeySMMKZGWEAHKYGM-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117391802
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875
[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclohexyl]methanamine
CID 117487447
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
[1-(2-tert-butyl-1-methylbenzimidazol-5-yl)cyclohexyl]methanamine
CID 117482514
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine (CID 117431672) is [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine is CC(C)(C)c1nc2ccc(C3(CN)CCCC3)cc2[nH]1.
What is the InChIKey of [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The InChIKey is SMMKZGWEAHKYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2,3)15-19-13-7-6-12(10-14(13)20-15)17(11-18)8-4-5-9-17/h6-7,10H,4-5,8-9,11,18H2,1-3H3,(H,19,20).
What are the key properties of [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117431672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).