[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine

C12H15N3 — CID 82607892

IUPAC[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3nc[nH]c3c2)CCC1
InChIInChI=1S/C12H15N3/c13-7-12(4-1-5-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8H,1,4-5,7,13H2,(H,14,15)
InChIKeyHEVPRVWCXAXUAT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds2

About [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine

[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine (PubChem CID 82607892) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
PubChem CID82607892
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc3nc[nH]c3c2)CCC1
InChIInChI=1S/C12H15N3/c13-7-12(4-1-5-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8H,1,4-5,7,13H2,(H,14,15)
InChIKeyHEVPRVWCXAXUAT-UHFFFAOYSA-N
XLogP1.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(3H-benzimidazol-5-yl)phenyl]oxan-4-yl]methanamine
CID 166247306
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
6-[1-(aminomethyl)cyclobutyl]-1H-quinoxalin-2-one
CID 117330714
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117391802
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
[1-(3H-benzimidazol-5-yl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 70096005

Frequently Asked Questions

What is the IUPAC name of [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine (CID 82607892) is [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine is NCC1(c2ccc3nc[nH]c3c2)CCC1.
What is the InChIKey of [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine?
The InChIKey is HEVPRVWCXAXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-12(4-1-5-12)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8H,1,4-5,7,13H2,(H,14,15).
What are the key properties of [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine?
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82607892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).