[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine

C15H14BrN3 — CID 79004444

IUPAC[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(Cc3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C15H14BrN3/c16-12-3-1-2-10(6-12)8-15-18-13-5-4-11(9-17)7-14(13)19-15/h1-7H,8-9,17H2,(H,18,19)
InChIKeyGKBFLTLECBWKEC-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.37
Rot. Bonds3

About [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine

[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004444) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
PubChem CID79004444
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(Cc3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C15H14BrN3/c16-12-3-1-2-10(6-12)8-15-18-13-5-4-11(9-17)7-14(13)19-15/h1-7H,8-9,17H2,(H,18,19)
InChIKeyGKBFLTLECBWKEC-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine (CID 79004444) is [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(Cc3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
The InChIKey is GKBFLTLECBWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c16-12-3-1-2-10(6-12)8-15-18-13-5-4-11(9-17)7-14(13)19-15/h1-7H,8-9,17H2,(H,18,19).
What are the key properties of [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine?
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine has a molecular weight of 316.20 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).