N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine

C16H25N3 — CID 82337145

IUPACN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
SMILESCCc1ccc2nc(CCNCCC(C)C)[nH]c2c1
InChIInChI=1S/C16H25N3/c1-4-13-5-6-14-15(11-13)19-16(18-14)8-10-17-9-7-12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyJWODWJWPGRPKFT-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine

N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 82337145) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
PubChem CID82337145
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
SMILESCCc1ccc2nc(CCNCCC(C)C)[nH]c2c1
InChIInChI=1S/C16H25N3/c1-4-13-5-6-14-15(11-13)19-16(18-14)8-10-17-9-7-12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3,(H,18,19)
InChIKeyJWODWJWPGRPKFT-UHFFFAOYSA-N
XLogP3.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.30
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-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337147
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062
N-[2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337151
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
2-(chloromethyl)-6-(4-methylpentyl)-1H-benzimidazole
CID 91291350

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine (CID 82337145) is N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine is CCc1ccc2nc(CCNCCC(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is JWODWJWPGRPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-13-5-6-14-15(11-13)19-16(18-14)8-10-17-9-7-12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine?
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82337145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).