1-heptyl-5,6-dimethylbenzimidazol-2-amine

C16H25N3 — CID 82359044

IUPAC1-heptyl-5,6-dimethylbenzimidazol-2-amine
SMILESCCCCCCCn1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-4-5-6-7-8-9-19-15-11-13(3)12(2)10-14(15)18-16(19)17/h10-11H,4-9H2,1-3H3,(H2,17,18)
InChIKeyVNJPCLDYQIRABX-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.21
Rot. Bonds6

About 1-heptyl-5,6-dimethylbenzimidazol-2-amine

1-heptyl-5,6-dimethylbenzimidazol-2-amine (PubChem CID 82359044) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-heptyl-5,6-dimethylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-heptyl-5,6-dimethylbenzimidazol-2-amine
PubChem CID82359044
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-heptyl-5,6-dimethylbenzimidazol-2-amine
SMILESCCCCCCCn1c(N)nc2cc(C)c(C)cc21
InChIInChI=1S/C16H25N3/c1-4-5-6-7-8-9-19-15-11-13(3)12(2)10-14(15)18-16(19)17/h10-11H,4-9H2,1-3H3,(H2,17,18)
InChIKeyVNJPCLDYQIRABX-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5,6-dimethylbenzimidazol-2-amine?
The IUPAC name of 1-heptyl-5,6-dimethylbenzimidazol-2-amine (CID 82359044) is 1-heptyl-5,6-dimethylbenzimidazol-2-amine.
What is the SMILES notation for 1-heptyl-5,6-dimethylbenzimidazol-2-amine?
The canonical SMILES for 1-heptyl-5,6-dimethylbenzimidazol-2-amine is CCCCCCCn1c(N)nc2cc(C)c(C)cc21.
What is the InChIKey of 1-heptyl-5,6-dimethylbenzimidazol-2-amine?
The InChIKey is VNJPCLDYQIRABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-5-6-7-8-9-19-15-11-13(3)12(2)10-14(15)18-16(19)17/h10-11H,4-9H2,1-3H3,(H2,17,18).
What are the key properties of 1-heptyl-5,6-dimethylbenzimidazol-2-amine?
1-heptyl-5,6-dimethylbenzimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-5,6-dimethylbenzimidazol-2-amine is sourced from PubChem (CID 82359044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).