N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

C24H30N6 — CID 102222312

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCN(Cc1nc2ccccc2n1C)C[C@@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C24H30N6/c1-27(16-23-25-19-10-4-6-12-21(19)28(23)2)15-18-9-8-14-30(18)17-24-26-20-11-5-7-13-22(20)29(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3/t18-/m0/s1
InChIKeyJHEYVMVLOQGVGB-SFHVURJKSA-N
MW402.55 g/mol
LogP3.56
Rot. Bonds6

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 102222312) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID102222312
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCN(Cc1nc2ccccc2n1C)C[C@@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C24H30N6/c1-27(16-23-25-19-10-4-6-12-21(19)28(23)2)15-18-9-8-14-30(18)17-24-26-20-11-5-7-13-22(20)29(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3/t18-/m0/s1
InChIKeyJHEYVMVLOQGVGB-SFHVURJKSA-N
XLogP3.56
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
CID 95630599
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315384
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127
[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921376
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 102222312) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is CN(Cc1nc2ccccc2n1C)C[C@@H]1CCCN1Cc1nc2ccccc2n1C.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is JHEYVMVLOQGVGB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N6/c1-27(16-23-25-19-10-4-6-12-21(19)28(23)2)15-18-9-8-14-30(18)17-24-26-20-11-5-7-13-22(20)29(24)3/h4-7,10-13,18H,8-9,14-17H2,1-3H3/t18-/m0/s1.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 402.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102222312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).