1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine

C15H13Cl2N3 — CID 82001742

IUPAC1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H13Cl2N3/c16-10-7-13-14(8-11(10)17)20-15(19-13)12(18)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6,18H2,(H,19,20)
InChIKeyFLIVEZBVNMHCBE-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.11
Rot. Bonds3

About 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine

1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine (PubChem CID 82001742) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine
PubChem CID82001742
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H13Cl2N3/c16-10-7-13-14(8-11(10)17)20-15(19-13)12(18)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6,18H2,(H,19,20)
InChIKeyFLIVEZBVNMHCBE-UHFFFAOYSA-N
XLogP4.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine (CID 82001742) is 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine is NC(Cc1ccccc1)c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine?
The InChIKey is FLIVEZBVNMHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c16-10-7-13-14(8-11(10)17)20-15(19-13)12(18)6-9-4-2-1-3-5-9/h1-5,7-8,12H,6,18H2,(H,19,20).
What are the key properties of 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine?
1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine has a molecular weight of 306.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloro-1H-benzimidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 82001742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).