CID 157467830

C18H17N4+ — CID 157467830

IUPAC—
SMILESCC1=[N+](C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1
InChIInChI=1S/C18H17N4/c1-11-9-12-6-7-13-10-15-19-14-5-4-8-20(2)18(14)22(15)17(13)16(12)21(11)3/h4-7H,9-10H2,1-3H3/q+1
InChIKeyUIDNOBSHGYHCOP-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.85
Rot. Bonds

About CID 157467830

CID 157467830 (PubChem CID 157467830) has the molecular formula C18H17N4+ and a molecular weight of 289.36 g/mol.

Molecular Properties

Compound NameCID 157467830
PubChem CID157467830
Molecular FormulaC18H17N4+
Molecular Weight289.36 g/mol
Exact Mass289.14
IUPAC Name—
SMILESCC1=[N+](C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1
InChIInChI=1S/C18H17N4/c1-11-9-12-6-7-13-10-15-19-14-5-4-8-20(2)18(14)22(15)17(13)16(12)21(11)3/h4-7H,9-10H2,1-3H3/q+1
InChIKeyUIDNOBSHGYHCOP-UHFFFAOYSA-N
XLogP1.85
TPSA24.71 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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2-[[3-[2-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]ethyl]pyrrolidin-1-yl]methyl]-1,7-dimethylbenzimidazole
CID 163637328
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CID 172125425
1,4-Dimethyl-2-phenylpyrrolo [1,2-a]benzimidazole
CID 16439781
1-Cyanoethyl-3-phenyl-4-methylimidazo[5,1-b]benzimidazole
CID 129789903
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CID 15669400
5-Methyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole
CID 19834491
8-Methyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole
CID 45077984
11H-indolo[1,2-a]benzimidazole
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1,4-Dimethyl-2-tetradecylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of CID 157467830?
The IUPAC name of CID 157467830 (CID 157467830) is not available.
What is the SMILES notation for CID 157467830?
The canonical SMILES for CID 157467830 is CC1=[N+](C)c2c(ccc3c2-n2c(nc4cc[c-][n+](C)c42)C3)C1.
What is the InChIKey of CID 157467830?
The InChIKey is UIDNOBSHGYHCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N4/c1-11-9-12-6-7-13-10-15-19-14-5-4-8-20(2)18(14)22(15)17(13)16(12)21(11)3/h4-7H,9-10H2,1-3H3/q+1.
What are the key properties of CID 157467830?
CID 157467830 has a molecular weight of 289.36 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157467830 is sourced from PubChem (CID 157467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).