3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine

C12H19N5 — CID 115119590

IUPAC3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
SMILESCN(CC(N)CN)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H19N5/c1-16(7-9(14)6-13)10-3-4-12-11(5-10)15-8-17(12)2/h3-5,8-9H,6-7,13-14H2,1-2H3
InChIKeyMGEIKLBQJXKQAK-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.30
Rot. Bonds4

About 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine

3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine (PubChem CID 115119590) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
PubChem CID115119590
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine
SMILESCN(CC(N)CN)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H19N5/c1-16(7-9(14)6-13)10-3-4-12-11(5-10)15-8-17(12)2/h3-5,8-9H,6-7,13-14H2,1-2H3
InChIKeyMGEIKLBQJXKQAK-UHFFFAOYSA-N
XLogP0.30
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,2-dimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115153596
2-methyl-1-[methyl-(1-methylbenzimidazol-5-yl)amino]propan-2-ol
CID 115136919
N-methyl-N-(1-methylbenzimidazol-5-yl)ethanesulfonamide
CID 110869331
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
3-amino-N,2,2-trimethyl-N-(1-methylbenzimidazol-5-yl)propanamide
CID 115154607
ethyl N-methyl-N-(1-methylbenzimidazol-5-yl)carbamate
CID 110869320
N'-(1,2-dimethylbenzimidazol-5-yl)-N',2-dimethylpropane-1,3-diamine
CID 115198422
2-N,4-dimethyl-2-N-(1-methylbenzimidazol-5-yl)benzene-1,2-diamine
CID 115126305
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115154935

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine?
The IUPAC name of 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine (CID 115119590) is 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine.
What is the SMILES notation for 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine?
The canonical SMILES for 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine is CN(CC(N)CN)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine?
The InChIKey is MGEIKLBQJXKQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16(7-9(14)6-13)10-3-4-12-11(5-10)15-8-17(12)2/h3-5,8-9H,6-7,13-14H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine?
3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine has a molecular weight of 233.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(1-methylbenzimidazol-5-yl)propane-1,2,3-triamine is sourced from PubChem (CID 115119590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).