N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline

C18H21N3 — CID 63105255

IUPACN-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
SMILESCCc1nc2ccccc2n1CCCNc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-18-20-16-11-6-7-12-17(16)21(18)14-8-13-19-15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3
InChIKeyJJBIWAUTPBJGGJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.10
Rot. Bonds6

About N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline

N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline (PubChem CID 63105255) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
PubChem CID63105255
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
SMILESCCc1nc2ccccc2n1CCCNc1ccccc1
InChIInChI=1S/C18H21N3/c1-2-18-20-16-11-6-7-12-17(16)21(18)14-8-13-19-15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3
InChIKeyJJBIWAUTPBJGGJ-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-3-methylaniline
CID 63106920
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
CID 103710309
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline?
The IUPAC name of N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline (CID 63105255) is N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline.
What is the SMILES notation for N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline?
The canonical SMILES for N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline is CCc1nc2ccccc2n1CCCNc1ccccc1.
What is the InChIKey of N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline?
The InChIKey is JJBIWAUTPBJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-18-20-16-11-6-7-12-17(16)21(18)14-8-13-19-15-9-4-3-5-10-15/h3-7,9-12,19H,2,8,13-14H2,1H3.
What are the key properties of N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline?
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline has a molecular weight of 279.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline is sourced from PubChem (CID 63105255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).