N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine

C15H16BrN3S — CID 62672499

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
SMILESCC(NC(C)c1sccc1Br)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16BrN3S/c1-9(14-11(16)7-8-20-14)17-10(2)15-18-12-5-3-4-6-13(12)19-15/h3-10,17H,1-2H3,(H,18,19)
InChIKeyZZQBDSMUNJIGQA-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine (PubChem CID 62672499) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
PubChem CID62672499
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine
SMILESCC(NC(C)c1sccc1Br)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H16BrN3S/c1-9(14-11(16)7-8-20-14)17-10(2)15-18-12-5-3-4-6-13(12)19-15/h3-10,17H,1-2H3,(H,18,19)
InChIKeyZZQBDSMUNJIGQA-UHFFFAOYSA-N
XLogP4.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62673016
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
3-[1-[1-(1H-benzimidazol-2-yl)ethylamino]ethyl]phenol
CID 62672139
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97184836
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methoxybutan-2-amine
CID 62671424
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine (CID 62672499) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine is CC(NC(C)c1sccc1Br)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine?
The InChIKey is ZZQBDSMUNJIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-9(14-11(16)7-8-20-14)17-10(2)15-18-12-5-3-4-6-13(12)19-15/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine has a molecular weight of 350.29 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 62672499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).