N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine

C15H24N4 — CID 115201448

IUPACN'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
SMILESCc1nc2cc(CCNCCCCN)ccc2n1C
InChIInChI=1S/C15H24N4/c1-12-18-14-11-13(5-6-15(14)19(12)2)7-10-17-9-4-3-8-16/h5-6,11,17H,3-4,7-10,16H2,1-2H3
InChIKeyYAUMACAWMMZOHE-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.75
Rot. Bonds7

About N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine

N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine (PubChem CID 115201448) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
PubChem CID115201448
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
SMILESCc1nc2cc(CCNCCCCN)ccc2n1C
InChIInChI=1S/C15H24N4/c1-12-18-14-11-13(5-6-15(14)19(12)2)7-10-17-9-4-3-8-16/h5-6,11,17H,3-4,7-10,16H2,1-2H3
InChIKeyYAUMACAWMMZOHE-UHFFFAOYSA-N
XLogP1.75
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dimethylbenzimidazole
CID 675
Bendazol
CID 12132
Lerisetron
CID 65997
2-Phenylbenzimidazole
CID 12855
Pracinostat
CID 49855250
5-Methylbenzimidazole
CID 11979
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazole-2-methanamine
CID 145820
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
Tecastemizole
CID 123618
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1H-Benzimidazole-2-pentanamine
CID 162387

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine?
The IUPAC name of N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine (CID 115201448) is N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine is Cc1nc2cc(CCNCCCCN)ccc2n1C.
What is the InChIKey of N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine?
The InChIKey is YAUMACAWMMZOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-18-14-11-13(5-6-15(14)19(12)2)7-10-17-9-4-3-8-16/h5-6,11,17H,3-4,7-10,16H2,1-2H3.
What are the key properties of N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine?
N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115201448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).