2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile

C14H10BrN5 — CID 170008421

IUPAC2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(N)n2Cc1ccc(Br)cn1
InChIInChI=1S/C14H10BrN5/c15-10-2-3-11(18-7-10)8-20-13-4-1-9(6-16)5-12(13)19-14(20)17/h1-5,7H,8H2,(H2,17,19)
InChIKeySNJDFMVCQRLSGO-UHFFFAOYSA-N
MW328.17 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile

2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile (PubChem CID 170008421) has the molecular formula C14H10BrN5 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
PubChem CID170008421
Molecular FormulaC14H10BrN5
Molecular Weight328.17 g/mol
Exact Mass327.01
IUPAC Name2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(N)n2Cc1ccc(Br)cn1
InChIInChI=1S/C14H10BrN5/c15-10-2-3-11(18-7-10)8-20-13-4-1-9(6-16)5-12(13)19-14(20)17/h1-5,7H,8H2,(H2,17,19)
InChIKeySNJDFMVCQRLSGO-UHFFFAOYSA-N
XLogP2.70
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile (CID 170008421) is 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile is N#Cc1ccc2c(c1)nc(N)n2Cc1ccc(Br)cn1.
What is the InChIKey of 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is SNJDFMVCQRLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5/c15-10-2-3-11(18-7-10)8-20-13-4-1-9(6-16)5-12(13)19-14(20)17/h1-5,7H,8H2,(H2,17,19).
What are the key properties of 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile?
2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 328.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 170008421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).