[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine

C12H16N4 — CID 62593155

IUPAC[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4/c13-8-9-4-3-7-16(9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyIEHKIEIQPNTEST-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.49
Rot. Bonds2

About [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine

[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 62593155) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID62593155
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4/c13-8-9-4-3-7-16(9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15)
InChIKeyIEHKIEIQPNTEST-UHFFFAOYSA-N
XLogP1.49
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
CID 133409910
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
[1-(1,2,4-benzotriazin-3-yl)azepan-2-yl]methanamine
CID 103205238
2-[2-(2-phenylethyl)pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137268434
3-[(2R)-2-ethylpiperidin-1-yl]-1H-quinoxalin-2-one
CID 95563134
[1-(3-methylquinolin-2-yl)azepan-2-yl]methanamine
CID 116640310
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 68635284

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine (CID 62593155) is [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nc2ccccc2[nH]1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is IEHKIEIQPNTEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-8-9-4-3-7-16(9)12-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8,13H2,(H,14,15).
What are the key properties of [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine?
[1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62593155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).