4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine

C13H15BrN4 — CID 146103457

IUPAC4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESBrc1ccnc(NCc2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C13H15BrN4/c14-9-5-6-15-12(7-9)16-8-13-17-10-3-1-2-4-11(10)18-13/h5-7H,1-4,8H2,(H,15,16)(H,17,18)
InChIKeyLVWNKIQTWJZPKU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.06
Rot. Bonds3

About 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine

4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine (PubChem CID 146103457) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
PubChem CID146103457
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESBrc1ccnc(NCc2nc3c([nH]2)CCCC3)c1
InChIInChI=1S/C13H15BrN4/c14-9-5-6-15-12(7-9)16-8-13-17-10-3-1-2-4-11(10)18-13/h5-7H,1-4,8H2,(H,15,16)(H,17,18)
InChIKeyLVWNKIQTWJZPKU-UHFFFAOYSA-N
XLogP3.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine (CID 146103457) is 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine is Brc1ccnc(NCc2nc3c([nH]2)CCCC3)c1.
What is the InChIKey of 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is LVWNKIQTWJZPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-9-5-6-15-12(7-9)16-8-13-17-10-3-1-2-4-11(10)18-13/h5-7H,1-4,8H2,(H,15,16)(H,17,18).
What are the key properties of 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 146103457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).