[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine

C14H11Cl2N3 — CID 79004447

IUPAC[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H11Cl2N3/c15-10-4-9(5-11(16)6-10)14-18-12-2-1-8(7-17)3-13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyBXRKDVXOCRSEJU-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.00
Rot. Bonds2

About [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine

[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004447) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004447
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1
InChIInChI=1S/C14H11Cl2N3/c15-10-4-9(5-11(16)6-10)14-18-12-2-1-8(7-17)3-13(12)19-14/h1-6H,7,17H2,(H,18,19)
InChIKeyBXRKDVXOCRSEJU-UHFFFAOYSA-N
XLogP4.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine (CID 79004447) is [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine is NCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)[nH]c2c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is BXRKDVXOCRSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c15-10-4-9(5-11(16)6-10)14-18-12-2-1-8(7-17)3-13(12)19-14/h1-6H,7,17H2,(H,18,19).
What are the key properties of [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 292.17 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).