1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine

C15H24N4 — CID 116945795

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1nc2cc(C(N)C(CN)C(C)C)ccc2n1C
InChIInChI=1S/C15H24N4/c1-9(2)12(8-16)15(17)11-5-6-14-13(7-11)18-10(3)19(14)4/h5-7,9,12,15H,8,16-17H2,1-4H3
InChIKeyIECIGKMSRXIUCO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.11
Rot. Bonds4

About 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine

1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945795) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945795
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1nc2cc(C(N)C(CN)C(C)C)ccc2n1C
InChIInChI=1S/C15H24N4/c1-9(2)12(8-16)15(17)11-5-6-14-13(7-11)18-10(3)19(14)4/h5-7,9,12,15H,8,16-17H2,1-4H3
InChIKeyIECIGKMSRXIUCO-UHFFFAOYSA-N
XLogP2.11
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949624
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
CID 91873506
[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
CID 116944982
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
CID 115198422
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
1-N-(1,2-dimethylbenzimidazol-5-yl)pentane-1,4-diamine
CID 115203627

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116945795) is 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine is Cc1nc2cc(C(N)C(CN)C(C)C)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is IECIGKMSRXIUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-9(2)12(8-16)15(17)11-5-6-14-13(7-11)18-10(3)19(14)4/h5-7,9,12,15H,8,16-17H2,1-4H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine?
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).