6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine

C19H17N5 — CID 164830726

IUPAC6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILES[C-]#[N+]c1ccc2nc(C3(c4ccc5c(n4)CCCN5)CC3)[nH]c2c1
InChIInChI=1S/C19H17N5/c1-20-12-4-5-15-16(11-12)24-18(23-15)19(8-9-19)17-7-6-13-14(22-17)3-2-10-21-13/h4-7,11,21H,2-3,8-10H2,(H,23,24)
InChIKeyFCBNOUAKWUWUAU-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.95
Rot. Bonds2

About 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine

6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 164830726) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID164830726
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILES[C-]#[N+]c1ccc2nc(C3(c4ccc5c(n4)CCCN5)CC3)[nH]c2c1
InChIInChI=1S/C19H17N5/c1-20-12-4-5-15-16(11-12)24-18(23-15)19(8-9-19)17-7-6-13-14(22-17)3-2-10-21-13/h4-7,11,21H,2-3,8-10H2,(H,23,24)
InChIKeyFCBNOUAKWUWUAU-UHFFFAOYSA-N
XLogP3.95
TPSA57.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 164830726) is 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine is [C-]#[N+]c1ccc2nc(C3(c4ccc5c(n4)CCCN5)CC3)[nH]c2c1.
What is the InChIKey of 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is FCBNOUAKWUWUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-20-12-4-5-15-16(11-12)24-18(23-15)19(8-9-19)17-7-6-13-14(22-17)3-2-10-21-13/h4-7,11,21H,2-3,8-10H2,(H,23,24).
What are the key properties of 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 315.38 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-isocyano-1H-benzimidazol-2-yl)cyclopropyl]-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 164830726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).