3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

C13H19N3 — CID 62336189

IUPAC3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-9-7-11-12(8-10(9)2)16-13(15-11)5-4-6-14-3/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyYAJCLROWDLHJHM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.33
Rot. Bonds4

About 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 62336189) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID62336189
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-9-7-11-12(8-10(9)2)16-13(15-11)5-4-6-14-3/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyYAJCLROWDLHJHM-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
3-(3H-imidazo[4,5-c]pyridin-2-yl)-N-methylpropan-1-amine
CID 63268455
4-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-ol
CID 79200644
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82336988
4-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-methylbutan-1-amine;ethane
CID 144721415
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819
3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 82184501
4-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethylsulfanyl]butanoic acid
CID 82337272
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine (CID 62336189) is 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is CNCCCc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is YAJCLROWDLHJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-7-11-12(8-10(9)2)16-13(15-11)5-4-6-14-3/h7-8,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine?
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 62336189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).