N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline

C18H21N3 — CID 63106920

IUPACN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
SMILESCCc1nc2ccccc2n1CCNc1cccc(C)c1
InChIInChI=1S/C18H21N3/c1-3-18-20-16-9-4-5-10-17(16)21(18)12-11-19-15-8-6-7-14(2)13-15/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyWSMTUUNPOOGKTJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline

N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline (PubChem CID 63106920) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
PubChem CID63106920
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
SMILESCCc1nc2ccccc2n1CCNc1cccc(C)c1
InChIInChI=1S/C18H21N3/c1-3-18-20-16-9-4-5-10-17(16)21(18)12-11-19-15-8-6-7-14(2)13-15/h4-10,13,19H,3,11-12H2,1-2H3
InChIKeyWSMTUUNPOOGKTJ-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63105255
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
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CID 62564206
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
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2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
1-(3,5-dimethylphenyl)-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 40696855
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline (CID 63106920) is N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline is CCc1nc2ccccc2n1CCNc1cccc(C)c1.
What is the InChIKey of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline?
The InChIKey is WSMTUUNPOOGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-18-20-16-9-4-5-10-17(16)21(18)12-11-19-15-8-6-7-14(2)13-15/h4-10,13,19H,3,11-12H2,1-2H3.
What are the key properties of N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline?
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline has a molecular weight of 279.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline is sourced from PubChem (CID 63106920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).