N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine

C13H19N3 — CID 96671773

IUPACN-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
SMILESCNCCCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-10-15-12-7-6-11(9-13(12)16-10)5-3-4-8-14-2/h6-7,9,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDSGLWAODENIEIL-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine

N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine (PubChem CID 96671773) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
PubChem CID96671773
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
SMILESCNCCCCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-10-15-12-7-6-11(9-13(12)16-10)5-3-4-8-14-2/h6-7,9,14H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyDSGLWAODENIEIL-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.41
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-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
CID 116851631
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine (CID 96671773) is N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine is CNCCCCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine?
The InChIKey is DSGLWAODENIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-15-12-7-6-11(9-13(12)16-10)5-3-4-8-14-2/h6-7,9,14H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine?
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine is sourced from PubChem (CID 96671773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).