[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine

C15H24N4 — CID 168988327

IUPAC[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
SMILESCC1N(C)c2cccc(N3CCCC3CN)c2N1C
InChIInChI=1S/C15H24N4/c1-11-17(2)13-7-4-8-14(15(13)18(11)3)19-9-5-6-12(19)10-16/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3
InChIKeyNGNCGTHYGJEVIH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.85
Rot. Bonds2

About [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine

[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine (PubChem CID 168988327) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
PubChem CID168988327
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
SMILESCC1N(C)c2cccc(N3CCCC3CN)c2N1C
InChIInChI=1S/C15H24N4/c1-11-17(2)13-7-4-8-14(15(13)18(11)3)19-9-5-6-12(19)10-16/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3
InChIKeyNGNCGTHYGJEVIH-UHFFFAOYSA-N
XLogP1.85
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
[1-(1-methylindol-7-yl)piperidin-2-yl]methanamine
CID 82386099
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
CID 82386767
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
[1-(3-methyl-1-benzofuran-4-yl)piperidin-2-yl]methanamine
CID 82385547
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981
(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368980
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
(1,5-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-4-yl)methanamine
CID 69238197

Frequently Asked Questions

What is the IUPAC name of [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine (CID 168988327) is [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine is CC1N(C)c2cccc(N3CCCC3CN)c2N1C.
What is the InChIKey of [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is NGNCGTHYGJEVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11-17(2)13-7-4-8-14(15(13)18(11)3)19-9-5-6-12(19)10-16/h4,7-8,11-12H,5-6,9-10,16H2,1-3H3.
What are the key properties of [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine?
[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 168988327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).