1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine

C15H24N4 — CID 63000965

IUPAC1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H24N4/c1-12(9-10-18(2)3)16-11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12,16H,9-11H2,1-4H3
InChIKeySVUNIIJEFBUXBR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.00
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine

1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine (PubChem CID 63000965) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
PubChem CID63000965
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine
SMILESCC(CCN(C)C)NCc1nc2ccccc2n1C
InChIInChI=1S/C15H24N4/c1-12(9-10-18(2)3)16-11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12,16H,9-11H2,1-4H3
InChIKeySVUNIIJEFBUXBR-UHFFFAOYSA-N
XLogP2.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 62998610
N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63001491
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine (CID 63000965) is 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine is CC(CCN(C)C)NCc1nc2ccccc2n1C.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine?
The InChIKey is SVUNIIJEFBUXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12(9-10-18(2)3)16-11-15-17-13-7-5-6-8-14(13)19(15)4/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-[(1-methylbenzimidazol-2-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 63000965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).