N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

C17H23N5 — CID 131895933

IUPACN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1ccc2nc(CN(C)Cc3nc(C)c(C)n3C)[nH]c2c1
InChIInChI=1S/C17H23N5/c1-11-6-7-14-15(8-11)20-16(19-14)9-21(4)10-17-18-12(2)13(3)22(17)5/h6-8H,9-10H2,1-5H3,(H,19,20)
InChIKeyOELBEGOCJNOWHA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (PubChem CID 131895933) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
PubChem CID131895933
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1ccc2nc(CN(C)Cc3nc(C)c(C)n3C)[nH]c2c1
InChIInChI=1S/C17H23N5/c1-11-6-7-14-15(8-11)20-16(19-14)9-21(4)10-17-18-12(2)13(3)22(17)5/h6-8H,9-10H2,1-5H3,(H,19,20)
InChIKeyOELBEGOCJNOWHA-UHFFFAOYSA-N
XLogP2.85
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
N,1,4,6-tetramethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 50974880
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
(1R,9aR)-1-[[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]methyl]-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-ol
CID 46984424
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)methanamine
CID 29183605
1-[(3R)-2,7-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]-N,N-bis[(6-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 25003992
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46964835
N-[[(3R)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)methanamine
CID 29183607
1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708759

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (CID 131895933) is N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is Cc1ccc2nc(CN(C)Cc3nc(C)c(C)n3C)[nH]c2c1.
What is the InChIKey of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The InChIKey is OELBEGOCJNOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-11-6-7-14-15(8-11)20-16(19-14)9-21(4)10-17-18-12(2)13(3)22(17)5/h6-8H,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine has a molecular weight of 297.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 131895933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).