N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine

C14H19N3 — CID 104584102

IUPACN-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
SMILESC=CCCC(C)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3,(H,16,17)
InChIKeySMXFQRZJUKDPMG-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.64
Rot. Bonds5

About N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine

N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine (PubChem CID 104584102) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
PubChem CID104584102
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
SMILESC=CCCC(C)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3,(H,16,17)
InChIKeySMXFQRZJUKDPMG-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447
2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
CID 79540408
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
CID 63991681
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine (CID 104584102) is N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine is C=CCCC(C)Nc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is SMXFQRZJUKDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-5-6-10(2)15-12-7-8-13-14(9-12)17-11(3)16-13/h4,7-10,15H,1,5-6H2,2-3H3,(H,16,17).
What are the key properties of N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine?
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 104584102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).