N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine

C15H24N4 — CID 83962059

IUPACN'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
SMILESCn1c(CCCNCCCCN)nc2ccccc21
InChIInChI=1S/C15H24N4/c1-19-14-8-3-2-7-13(14)18-15(19)9-6-12-17-11-5-4-10-16/h2-3,7-8,17H,4-6,9-12,16H2,1H3
InChIKeyXSFSXQLIOKVSOE-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.83
Rot. Bonds8

About N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine

N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine (PubChem CID 83962059) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
PubChem CID83962059
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
SMILESCn1c(CCCNCCCCN)nc2ccccc21
InChIInChI=1S/C15H24N4/c1-19-14-8-3-2-7-13(14)18-15(19)9-6-12-17-11-5-4-10-16/h2-3,7-8,17H,4-6,9-12,16H2,1H3
InChIKeyXSFSXQLIOKVSOE-UHFFFAOYSA-N
XLogP1.83
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.83
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

4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83962035
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine (CID 83962059) is N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine is Cn1c(CCCNCCCCN)nc2ccccc21.
What is the InChIKey of N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine?
The InChIKey is XSFSXQLIOKVSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-19-14-8-3-2-7-13(14)18-15(19)9-6-12-17-11-5-4-10-16/h2-3,7-8,17H,4-6,9-12,16H2,1H3.
What are the key properties of N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine?
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine is sourced from PubChem (CID 83962059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).