1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine

C14H18N4 — CID 62507908

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2C1CCN2CCCC12
InChIInChI=1S/C14H18N4/c15-10-3-4-12-11(8-10)16-9-18(12)14-5-7-17-6-1-2-13(14)17/h3-4,8-9,13-14H,1-2,5-7,15H2
InChIKeyZYFNMZYNTGKSEI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.03
Rot. Bonds1

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine (PubChem CID 62507908) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine
PubChem CID62507908
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2C1CCN2CCCC12
InChIInChI=1S/C14H18N4/c15-10-3-4-12-11(8-10)16-9-18(12)14-5-7-17-6-1-2-13(14)17/h3-4,8-9,13-14H,1-2,5-7,15H2
InChIKeyZYFNMZYNTGKSEI-UHFFFAOYSA-N
XLogP2.03
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylcyclohexyl)benzimidazol-5-amine
CID 62508321
1-(4-methylcyclohexyl)benzimidazol-5-amine
CID 62507500
1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine
CID 64916460
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)benzimidazol-5-amine
CID 79071452
1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
1-(1,1-dioxothietan-3-yl)benzimidazol-5-amine
CID 172868617
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62845453
1-[(3-methylcyclohexyl)methyl]benzimidazol-5-amine
CID 114130078
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-N-methylimidazol-2-amine
CID 106566144
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024984
1-(oxan-2-ylmethyl)benzimidazol-5-amine
CID 62506253
1-(5-piperidin-2-ylimidazol-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 114704870

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine (CID 62507908) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine is Nc1ccc2c(c1)ncn2C1CCN2CCCC12.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine?
The InChIKey is ZYFNMZYNTGKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-10-3-4-12-11(8-10)16-9-18(12)14-5-7-17-6-1-2-13(14)17/h3-4,8-9,13-14H,1-2,5-7,15H2.
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine has a molecular weight of 242.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-5-amine is sourced from PubChem (CID 62507908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).