3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

C18H21N3 — CID 43195422

IUPAC3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCc1cc(C)cc(NC(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H21N3/c1-12-9-13(2)11-15(10-12)19-14(3)18-20-16-7-5-6-8-17(16)21(18)4/h5-11,14,19H,1-4H3
InChIKeyNOCXUNSNRCKPGF-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.36
Rot. Bonds3

About 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline

3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (PubChem CID 43195422) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
PubChem CID43195422
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
SMILESCc1cc(C)cc(NC(C)c2nc3ccccc3n2C)c1
InChIInChI=1S/C18H21N3/c1-12-9-13(2)11-15(10-12)19-14(3)18-20-16-7-5-6-8-17(16)21(18)4/h5-11,14,19H,1-4H3
InChIKeyNOCXUNSNRCKPGF-UHFFFAOYSA-N
XLogP4.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
CID 60932031
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935
2-chloro-4-iodo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43733682
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 82706490
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline (CID 43195422) is 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is Cc1cc(C)cc(NC(C)c2nc3ccccc3n2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
The InChIKey is NOCXUNSNRCKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-9-13(2)11-15(10-12)19-14(3)18-20-16-7-5-6-8-17(16)21(18)4/h5-11,14,19H,1-4H3.
What are the key properties of 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline?
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline has a molecular weight of 279.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 43195422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).