6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C14H15N5O — CID 79341692

IUPAC6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1
InChIInChI=1S/C14H15N5O/c1-20-8-2-3-9-11(4-8)19-14(18-9)12-5-10-13(6-15-12)17-7-16-10/h2-4,7,12,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLCMMHJFZBAPWLV-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.68
Rot. Bonds2

About 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79341692) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79341692
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCOc1ccc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1
InChIInChI=1S/C14H15N5O/c1-20-8-2-3-9-11(4-8)19-14(18-9)12-5-10-13(6-15-12)17-7-16-10/h2-4,7,12,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLCMMHJFZBAPWLV-UHFFFAOYSA-N
XLogP1.68
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79341692) is 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is COc1ccc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1.
What is the InChIKey of 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is LCMMHJFZBAPWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-20-8-2-3-9-11(4-8)19-14(18-9)12-5-10-13(6-15-12)17-7-16-10/h2-4,7,12,15H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 269.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79341692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).