1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine

C13H13BrN4S — CID 115144159

IUPAC1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine
SMILESNCCn1c(Nc2cc(Br)cs2)nc2ccccc21
InChIInChI=1S/C13H13BrN4S/c14-9-7-12(19-8-9)17-13-16-10-3-1-2-4-11(10)18(13)6-5-15/h1-4,7-8H,5-6,15H2,(H,16,17)
InChIKeyMCSDPGDPKPILNB-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine

1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine (PubChem CID 115144159) has the molecular formula C13H13BrN4S and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine
PubChem CID115144159
Molecular FormulaC13H13BrN4S
Molecular Weight337.25 g/mol
Exact Mass336.00
IUPAC Name1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine
SMILESNCCn1c(Nc2cc(Br)cs2)nc2ccccc21
InChIInChI=1S/C13H13BrN4S/c14-9-7-12(19-8-9)17-13-16-10-3-1-2-4-11(10)18(13)6-5-15/h1-4,7-8H,5-6,15H2,(H,16,17)
InChIKeyMCSDPGDPKPILNB-UHFFFAOYSA-N
XLogP3.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-bromothiophen-2-yl)amino]benzimidazol-1-yl]ethanol
CID 115144095
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
1-[(4-bromothiophen-2-yl)methyl]-2-ethylbenzimidazole
CID 63106530
2-(2-anilinobenzimidazol-1-yl)ethanethiol
CID 135270626
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
[1-[(4-bromo-2-chlorophenyl)methyl]benzimidazol-2-yl]hydrazine
CID 45276595
2-[2-(4-bromoanilino)benzimidazol-1-yl]acetic acid
CID 119027105
N-(2-methylphenyl)-1-propylbenzimidazol-2-amine
CID 829853
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine?
The IUPAC name of 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine (CID 115144159) is 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine is NCCn1c(Nc2cc(Br)cs2)nc2ccccc21.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine?
The InChIKey is MCSDPGDPKPILNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S/c14-9-7-12(19-8-9)17-13-16-10-3-1-2-4-11(10)18(13)6-5-15/h1-4,7-8H,5-6,15H2,(H,16,17).
What are the key properties of 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine?
1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine has a molecular weight of 337.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-bromothiophen-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 115144159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).