3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride

C15H15ClN3- — CID 43829289

IUPAC3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
SMILESNc1cccc(CCc2nc3ccccc3[nH]2)c1.[Cl-]
InChIInChI=1S/C15H15N3.ClH/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15;/h1-7,10H,8-9,16H2,(H,17,18);1H/p-1
InChIKeyDLRMTDNHYVWZEP-UHFFFAOYSA-M
MW272.76 g/mol
LogP-0.07
Rot. Bonds3

About 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride

3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride (PubChem CID 43829289) has the molecular formula C15H15ClN3- and a molecular weight of 272.76 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
PubChem CID43829289
Molecular FormulaC15H15ClN3-
Molecular Weight272.76 g/mol
Exact Mass272.10
IUPAC Name3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
SMILESNc1cccc(CCc2nc3ccccc3[nH]2)c1.[Cl-]
InChIInChI=1S/C15H15N3.ClH/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15;/h1-7,10H,8-9,16H2,(H,17,18);1H/p-1
InChIKeyDLRMTDNHYVWZEP-UHFFFAOYSA-M
XLogP-0.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
CID 87640795
CID 87640795
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
2-[2-(3-aminophenyl)ethyl]-1'-methylspiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione
CID 89000081
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride (CID 43829289) is 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride is Nc1cccc(CCc2nc3ccccc3[nH]2)c1.[Cl-].
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride?
The InChIKey is DLRMTDNHYVWZEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3.ClH/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15;/h1-7,10H,8-9,16H2,(H,17,18);1H/p-1.
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride?
3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride has a molecular weight of 272.76 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride is sourced from PubChem (CID 43829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).