N-(2-bromoethyl)-1H-benzimidazol-2-amine

C9H10BrN3 — CID 119092998

IUPACN-(2-bromoethyl)-1H-benzimidazol-2-amine
SMILESBrCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10BrN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyGTYYOJZWDUDMPG-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.37
Rot. Bonds3

About N-(2-bromoethyl)-1H-benzimidazol-2-amine

N-(2-bromoethyl)-1H-benzimidazol-2-amine (PubChem CID 119092998) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-1H-benzimidazol-2-amine
PubChem CID119092998
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC NameN-(2-bromoethyl)-1H-benzimidazol-2-amine
SMILESBrCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10BrN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyGTYYOJZWDUDMPG-UHFFFAOYSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
N-(3-morpholin-4-ium-4-ylpropyl)-1H-benzimidazol-2-amine
CID 7005670

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-bromoethyl)-1H-benzimidazol-2-amine (CID 119092998) is N-(2-bromoethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-bromoethyl)-1H-benzimidazol-2-amine is BrCCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-bromoethyl)-1H-benzimidazol-2-amine?
The InChIKey is GTYYOJZWDUDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13).
What are the key properties of N-(2-bromoethyl)-1H-benzimidazol-2-amine?
N-(2-bromoethyl)-1H-benzimidazol-2-amine has a molecular weight of 240.10 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 119092998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).