3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine

C15H24N4 — CID 117040485

IUPAC3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
SMILESCc1nc2ccc(CCN(C)C(C)CCN)cc2[nH]1
InChIInChI=1S/C15H24N4/c1-11(6-8-16)19(3)9-7-13-4-5-14-15(10-13)18-12(2)17-14/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyFADLMFFZOKQOHT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.08
Rot. Bonds6

About 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine

3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine (PubChem CID 117040485) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
PubChem CID117040485
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
SMILESCc1nc2ccc(CCN(C)C(C)CCN)cc2[nH]1
InChIInChI=1S/C15H24N4/c1-11(6-8-16)19(3)9-7-13-4-5-14-15(10-13)18-12(2)17-14/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyFADLMFFZOKQOHT-UHFFFAOYSA-N
XLogP2.08
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
3-N-[2-(4-butan-2-ylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040444
2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
CID 116930917
3-N-[2-(4-ethylsulfanylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040479
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
CID 115233172
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
CID 116851631

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine (CID 117040485) is 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine is Cc1nc2ccc(CCN(C)C(C)CCN)cc2[nH]1.
What is the InChIKey of 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine?
The InChIKey is FADLMFFZOKQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(6-8-16)19(3)9-7-13-4-5-14-15(10-13)18-12(2)17-14/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine?
3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 117040485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).