N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine

C18H29N3 — CID 63502282

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H29N3/c1-5-6-7-8-16(4)19-9-10-21-13-20-17-11-14(2)15(3)12-18(17)21/h11-13,16,19H,5-10H2,1-4H3
InChIKeyLMQYXHAPIMNFFC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.21
Rot. Bonds8

About N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine

N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine (PubChem CID 63502282) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
PubChem CID63502282
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NCCn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C18H29N3/c1-5-6-7-8-16(4)19-9-10-21-13-20-17-11-14(2)15(3)12-18(17)21/h11-13,16,19H,5-10H2,1-4H3
InChIKeyLMQYXHAPIMNFFC-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
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-nonylbenzimidazole
CID 16994999
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
CID 62563334
6-(5,6-dimethylbenzimidazol-1-yl)-N-ethylhexan-3-amine
CID 106800242
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-N-octyloctan-1-amine
CID 134294647
4-(5,6-dimethylbenzimidazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62449256
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-2-amine
CID 62566039
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525
1-(3-ethylsulfanylpropyl)-5,6-dimethylbenzimidazole
CID 115650935
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
CID 61387648
1-[2-(heptan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562236
5-bromo-3-[2-(heptan-2-ylamino)ethyl]pyrimidin-4-one
CID 66310003

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine (CID 63502282) is N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine is CCCCCC(C)NCCn1cnc2cc(C)c(C)cc21.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine?
The InChIKey is LMQYXHAPIMNFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-6-7-8-16(4)19-9-10-21-13-20-17-11-14(2)15(3)12-18(17)21/h11-13,16,19H,5-10H2,1-4H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine is sourced from PubChem (CID 63502282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).