N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine

C12H17N3 — CID 81455738

IUPACN-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2cccc(C)c2n1C
InChIInChI=1S/C12H17N3/c1-4-13-8-11-14-10-7-5-6-9(2)12(10)15(11)3/h5-7,13H,4,8H2,1-3H3
InChIKeyFIIJEGGKMITZOQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.99
Rot. Bonds3

About N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 81455738) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID81455738
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2cccc(C)c2n1C
InChIInChI=1S/C12H17N3/c1-4-13-8-11-14-10-7-5-6-9(2)12(10)15(11)3/h5-7,13H,4,8H2,1-3H3
InChIKeyFIIJEGGKMITZOQ-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 71911492
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71848970
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
4-[(1,7-dimethylbenzimidazol-2-yl)methyl]aniline
CID 81454969
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 133367384
2-[3-[(1,7-dimethylbenzimidazol-2-yl)methylamino]-2-oxopyrazin-1-yl]acetic acid
CID 167932709
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2,4-dinitroaniline
CID 133367353
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133443456
5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 136515181
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-3-ethoxy-4-nitroaniline
CID 133443453
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166239437

Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine (CID 81455738) is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine is CCNCc1nc2cccc(C)c2n1C.
What is the InChIKey of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is FIIJEGGKMITZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-13-8-11-14-10-7-5-6-9(2)12(10)15(11)3/h5-7,13H,4,8H2,1-3H3.
What are the key properties of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine?
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 203.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81455738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).