1-hexan-3-yl-2-methylbenzimidazol-5-amine

C14H21N3 — CID 62506241

IUPAC1-hexan-3-yl-2-methylbenzimidazol-5-amine
SMILESCCCC(CC)n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C14H21N3/c1-4-6-12(5-2)17-10(3)16-13-9-11(15)7-8-14(13)17/h7-9,12H,4-6,15H2,1-3H3
InChIKeyGQUFLTGNMCYVSZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.68
Rot. Bonds4

About 1-hexan-3-yl-2-methylbenzimidazol-5-amine

1-hexan-3-yl-2-methylbenzimidazol-5-amine (PubChem CID 62506241) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-hexan-3-yl-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-hexan-3-yl-2-methylbenzimidazol-5-amine
PubChem CID62506241
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-hexan-3-yl-2-methylbenzimidazol-5-amine
SMILESCCCC(CC)n1c(C)nc2cc(N)ccc21
InChIInChI=1S/C14H21N3/c1-4-6-12(5-2)17-10(3)16-13-9-11(15)7-8-14(13)17/h7-9,12H,4-6,15H2,1-3H3
InChIKeyGQUFLTGNMCYVSZ-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-[1-(diethylamino)propan-2-yl]-2-methylbenzimidazol-5-amine
CID 62508219
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
3-butan-2-yl-2-methylbenzimidazol-5-amine
CID 133190269
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902
2-(1-chloroethyl)-1-hexan-3-yl-5-methylbenzimidazole
CID 55221405
2-methylbenzimidazole-1,5-diamine
CID 83418174
(2R)-2-(5-amino-2-propylbenzimidazol-1-yl)-3-methylbutan-1-ol
CID 79244373
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-hexan-3-yl-2-methylbenzimidazol-5-amine (CID 62506241) is 1-hexan-3-yl-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-hexan-3-yl-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-hexan-3-yl-2-methylbenzimidazol-5-amine is CCCC(CC)n1c(C)nc2cc(N)ccc21.
What is the InChIKey of 1-hexan-3-yl-2-methylbenzimidazol-5-amine?
The InChIKey is GQUFLTGNMCYVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-6-12(5-2)17-10(3)16-13-9-11(15)7-8-14(13)17/h7-9,12H,4-6,15H2,1-3H3.
What are the key properties of 1-hexan-3-yl-2-methylbenzimidazol-5-amine?
1-hexan-3-yl-2-methylbenzimidazol-5-amine has a molecular weight of 231.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 62506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).