N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline

C16H15BrClN3 — CID 60837375

IUPACN-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
SMILESCCn1c(CNc2ccc(Cl)cc2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrClN3/c1-2-21-15-8-3-11(17)9-14(15)20-16(21)10-19-13-6-4-12(18)5-7-13/h3-9,19H,2,10H2,1H3
InChIKeyINWGGVBPEZVSLA-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.08
Rot. Bonds4

About N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline

N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline (PubChem CID 60837375) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
PubChem CID60837375
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC NameN-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
SMILESCCn1c(CNc2ccc(Cl)cc2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrClN3/c1-2-21-15-8-3-11(17)9-14(15)20-16(21)10-19-13-6-4-12(18)5-7-13/h3-9,19H,2,10H2,1H3
InChIKeyINWGGVBPEZVSLA-UHFFFAOYSA-N
XLogP5.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
CID 60836347
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
CID 61020055
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
1-(6-chloro-1-ethylbenzimidazol-2-yl)-N-methylmethanamine
CID 46310511

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline?
The IUPAC name of N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline (CID 60837375) is N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline.
What is the SMILES notation for N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline?
The canonical SMILES for N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline is CCn1c(CNc2ccc(Cl)cc2)nc2cc(Br)ccc21.
What is the InChIKey of N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline?
The InChIKey is INWGGVBPEZVSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/c1-2-21-15-8-3-11(17)9-14(15)20-16(21)10-19-13-6-4-12(18)5-7-13/h3-9,19H,2,10H2,1H3.
What are the key properties of N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline?
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline has a molecular weight of 364.67 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline is sourced from PubChem (CID 60837375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).