1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine

C17H23N3 — CID 61291804

IUPAC1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccccc3n2C2CC2)CCCCCC1
InChIInChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2
InChIKeyYMTUUHASYJRUJO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.88
Rot. Bonds2

About 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine

1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 61291804) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
PubChem CID61291804
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccccc3n2C2CC2)CCCCCC1
InChIInChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2
InChIKeyYMTUUHASYJRUJO-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine (CID 61291804) is 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine is NC1(c2nc3ccccc3n2C2CC2)CCCCCC1.
What is the InChIKey of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is YMTUUHASYJRUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-17(11-5-1-2-6-12-17)16-19-14-7-3-4-8-15(14)20(16)13-9-10-13/h3-4,7-8,13H,1-2,5-6,9-12,18H2.
What are the key properties of 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine?
1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylbenzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 61291804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).