3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine

C15H24N4 — CID 82310788

IUPAC3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
SMILESCCc1ccc2c(c1)nc(CN(C)C)n2CCCN
InChIInChI=1S/C15H24N4/c1-4-12-6-7-14-13(10-12)17-15(11-18(2)3)19(14)9-5-8-16/h6-7,10H,4-5,8-9,11,16H2,1-3H3
InChIKeyYKRWGVIKWDTIDO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.01
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine

3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine (PubChem CID 82310788) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
PubChem CID82310788
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
SMILESCCc1ccc2c(c1)nc(CN(C)C)n2CCCN
InChIInChI=1S/C15H24N4/c1-4-12-6-7-14-13(10-12)17-15(11-18(2)3)19(14)9-5-8-16/h6-7,10H,4-5,8-9,11,16H2,1-3H3
InChIKeyYKRWGVIKWDTIDO-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
2-[[1-(3-aminopropyl)-5-methoxybenzimidazol-2-yl]methyl-methylamino]ethanol
CID 82310791
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333467

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine (CID 82310788) is 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine is CCc1ccc2c(c1)nc(CN(C)C)n2CCCN.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine?
The InChIKey is YKRWGVIKWDTIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-12-6-7-14-13(10-12)17-15(11-18(2)3)19(14)9-5-8-16/h6-7,10H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine?
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82310788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).