1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

C14H14BrN3S — CID 55028090

IUPAC1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCn1c(CNCc2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C14H14BrN3S/c1-18-12-5-3-2-4-11(12)17-14(18)9-16-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3
InChIKeyPBUVCYIRUHXNRW-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (PubChem CID 55028090) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
PubChem CID55028090
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
SMILESCn1c(CNCc2ccc(Br)s2)nc2ccccc21
InChIInChI=1S/C14H14BrN3S/c1-18-12-5-3-2-4-11(12)17-14(18)9-16-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3
InChIKeyPBUVCYIRUHXNRW-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 103910469
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
CID 42778874
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methylpyrazin-2-yl)methanamine
CID 63756235
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine (CID 55028090) is 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is Cn1c(CNCc2ccc(Br)s2)nc2ccccc21.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
The InChIKey is PBUVCYIRUHXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-18-12-5-3-2-4-11(12)17-14(18)9-16-8-10-6-7-13(15)19-10/h2-7,16H,8-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine has a molecular weight of 336.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 55028090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).