N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine

C14H14BrN3S — CID 107354364

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)c1cc(Br)cs1
InChIInChI=1S/C14H14BrN3S/c1-9(13-6-10(15)8-19-13)16-7-14-17-11-4-2-3-5-12(11)18-14/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyLCRRNZCRAOBITM-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.24
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine (PubChem CID 107354364) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
PubChem CID107354364
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine
SMILESCC(NCc1nc2ccccc2[nH]1)c1cc(Br)cs1
InChIInChI=1S/C14H14BrN3S/c1-9(13-6-10(15)8-19-13)16-7-14-17-11-4-2-3-5-12(11)18-14/h2-6,8-9,16H,7H2,1H3,(H,17,18)
InChIKeyLCRRNZCRAOBITM-UHFFFAOYSA-N
XLogP4.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)-1-(2,4-dichlorophenyl)ethanamine
CID 78913569
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
1-(4-bromothiophen-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107167364
1-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64545302
N-(1H-benzimidazol-2-ylmethyl)-1-(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 66526522
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
N-(1H-benzimidazol-2-ylmethyl)-1,1-dicyclopropylmethanamine
CID 78991581
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine (CID 107354364) is N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine is CC(NCc1nc2ccccc2[nH]1)c1cc(Br)cs1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is LCRRNZCRAOBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-9(13-6-10(15)8-19-13)16-7-14-17-11-4-2-3-5-12(11)18-14/h2-6,8-9,16H,7H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine has a molecular weight of 336.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 107354364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).