N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C18H29N3 — CID 82336665

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc2nc(CN(CC(C)C)CC(C)C)[nH]c2cc1C
InChIInChI=1S/C18H29N3/c1-12(2)9-21(10-13(3)4)11-18-19-16-7-14(5)15(6)8-17(16)20-18/h7-8,12-13H,9-11H2,1-6H3,(H,19,20)
InChIKeyQJMOXUQOXRKQOI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.29
Rot. Bonds6

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 82336665) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID82336665
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCc1cc2nc(CN(CC(C)C)CC(C)C)[nH]c2cc1C
InChIInChI=1S/C18H29N3/c1-12(2)9-21(10-13(3)4)11-18-19-16-7-14(5)15(6)8-17(16)20-18/h7-8,12-13H,9-11H2,1-6H3,(H,19,20)
InChIKeyQJMOXUQOXRKQOI-UHFFFAOYSA-N
XLogP4.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82336677
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 91839392
5-chloro-6-methyl-2-(2-methylpropyl)-1H-benzimidazole
CID 165144427
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 10358425
2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 55001133
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 62336189
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
5,6-dimethyl-2-(phenylsulfanylmethyl)-1H-benzimidazole
CID 79217109

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 82336665) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is Cc1cc2nc(CN(CC(C)C)CC(C)C)[nH]c2cc1C.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is QJMOXUQOXRKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-12(2)9-21(10-13(3)4)11-18-19-16-7-14(5)15(6)8-17(16)20-18/h7-8,12-13H,9-11H2,1-6H3,(H,19,20).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 82336665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).